|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-352
|
|
CAS Number
|
|
5049-61-6
|
|
IUPAC
|
|
pyrazin-2-amine
|
|
Chemical Data
|
|
SMILES:
|
Nc1cnccn1
|
|
InChI Key:
|
XFTQRUTUGRCSGO-UHFFFAOYAL
|
|
Molecular Formula:
|
C4H5N3
|
|
Molecular Weight:
|
95.1026
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-357
|
|
CAS Number
|
|
16504-57-7
|
|
IUPAC
|
|
(3S)-3-amino-4-hydroxybutanoic acid
|
|
Chemical Data
|
|
SMILES:
|
N[C@H](CO)CC(O)=O |r|
|
|
InChI Key:
|
BUZICZZQJDLXJN-VKHMYHEABD
|
|
Molecular Formula:
|
C4H9NO3
|
|
Molecular Weight:
|
119.1192
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-334
|
|
CAS Number
|
|
360-97-4
|
|
IUPAC
|
|
4-amino-1H-imidazole-5-carboxamide
|
|
Chemical Data
|
|
SMILES:
|
NC(=O)c1[nH]cnc1N
|
|
InChI Key:
|
DVNYTAVYBRSTGK-UHFFFAOYAN
|
|
Molecular Formula:
|
C4H6N4O
|
|
Molecular Weight:
|
126.1166
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-314
|
|
IUPAC
|
|
3-amino-4-hydroxybutanoic acid
|
|
Chemical Data
|
|
SMILES:
|
NC(CO)CC(O)=O
|
|
InChI Key:
|
BUZICZZQJDLXJN-UHFFFAOYAT
|
|
Molecular Formula:
|
C4H9NO3
|
|
Molecular Weight:
|
119.1192
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-318
|
|
IUPAC
|
|
4-carboxy-1,3-thiazol-2-aminium bromide
|
|
Chemical Data
|
|
SMILES:
|
[Br-].[NH3+]c1nc(cs1)C(O)=O
|
|
InChI Key:
|
DZRNWHJFOOMUGU-UHFFFAOYAI
|
|
Molecular Formula:
|
C4H5BrN2O2S
|
|
Molecular Weight:
|
225.064
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-311
|
|
IUPAC
|
|
3-bromo-1-carboxypropan-1-aminium bromide
|
|
Chemical Data
|
|
SMILES:
|
[Br-].[NH3+]C(CCBr)C(O)=O
|
|
InChI Key:
|
JDLMXICGDYZOJH-UHFFFAOYAJ
|
|
Molecular Formula:
|
C4H9Br2NO2
|
|
Molecular Weight:
|
262.928
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-280
|
|
CAS Number
|
|
59489-71-3
|
|
IUPAC
|
|
5-bromopyrazin-2-amine
|
|
Chemical Data
|
|
SMILES:
|
Nc1cnc(Br)cn1
|
|
InChI Key:
|
KRRTXVSBTPCDOS-UHFFFAOYAM
|
|
Molecular Formula:
|
C4H4BrN3
|
|
Molecular Weight:
|
173.999
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-472
|
|
CAS Number
|
|
116183-82-5
|
|
IUPAC
|
|
(3R)-pyrrolidin-3-amine
|
|
Chemical Data
|
|
SMILES:
|
N[C@@H]1CCNC1 |r|
|
|
InChI Key:
|
NGXSWUFDCSEIOO-SCSAIBSYBF
|
|
Molecular Formula:
|
C4H10N2
|
|
Molecular Weight:
|
86.1356
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-473
|
|
CAS Number
|
|
128345-57-3
|
|
IUPAC
|
|
(3S)-pyrrolidin-3-amine
|
|
Chemical Data
|
|
SMILES:
|
N[C@H]1CCNC1 |r|
|
|
InChI Key:
|
NGXSWUFDCSEIOO-BYPYZUCNBQ
|
|
Molecular Formula:
|
C4H10N2
|
|
Molecular Weight:
|
86.1356
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-505
|
|
IUPAC
|
|
2-amino-3,3-difluorobutanoic acid hydrochloride
|
|
Chemical Data
|
|
SMILES:
|
Cl.CC(F)(F)C(N)C(O)=O
|
|
InChI Key:
|
GEAZCYPEHOFKQE-UHFFFAOYAR
|
|
Molecular Formula:
|
C4H8ClF2NO2
|
|
Molecular Weight:
|
175.562
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-565
|
|
CAS Number
|
|
2133-34-8
|
|
IUPAC
|
|
(2S)-azetidine-2-carboxylic acid
|
|
Chemical Data
|
|
SMILES:
|
OC(=O)[C@@H]1CCN1 |r|
|
|
InChI Key:
|
IADUEWIQBXOCDZ-VKHMYHEABQ
|
|
Molecular Formula:
|
C4H7NO2
|
|
Molecular Weight:
|
101.1039
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-566
|
|
CAS Number
|
|
7729-30-8
|
|
IUPAC
|
|
(2R)-azetidine-2-carboxylic acid
|
|
Chemical Data
|
|
SMILES:
|
OC(=O)[C@H]1CCN1 |r|
|
|
InChI Key:
|
IADUEWIQBXOCDZ-GSVOUGTGBL
|
|
Molecular Formula:
|
C4H7NO2
|
|
Molecular Weight:
|
101.1039
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-587
|
|
IUPAC
|
|
2-amino-3-(hydrazinecarbonyl)propanoic acid
|
|
Chemical Data
|
|
SMILES:
|
NNC(=O)CC(N)C(O)=O
|
|
InChI Key:
|
YIEJWMCKVBZQLD-UHFFFAOYAL
|
|
Molecular Formula:
|
C4H9N3O3
|
|
Molecular Weight:
|
147.1326
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-613
|
|
IUPAC
|
|
2-(2-aminoethyl)-1,2,4-oxadiazolidine-3,5-dione
|
|
Chemical Data
|
|
SMILES:
|
NCCn1oc(=O)[nH]c1=O
|
|
InChI Key:
|
LIPCXBVXQUFCSC-UHFFFAOYAA
|
|
Molecular Formula:
|
C4H7N3O3
|
|
Molecular Weight:
|
145.1167
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-618
|
|
CAS Number
|
|
623-33-6
|
|
IUPAC
|
|
ethyl 2-aminoacetate hydrochloride
|
|
Chemical Data
|
|
SMILES:
|
Cl.CCOC(=O)CN
|
|
InChI Key:
|
TXTWXQXDMWILOF-UHFFFAOYAV
|
|
Molecular Formula:
|
C4H10ClNO2
|
|
Molecular Weight:
|
139.581
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-631
|
|
IUPAC
|
|
4-amino-2,2-difluorobutanoic acid
|
|
Chemical Data
|
|
SMILES:
|
NCCC(F)(F)C(O)=O
|
|
InChI Key:
|
IVOHCVBJBZUONM-UHFFFAOYAX
|
|
Molecular Formula:
|
C4H7F2NO2
|
|
Molecular Weight:
|
139.1007
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-641
|
|
CAS Number
|
|
2854-16-2
|
|
IUPAC
|
|
1-amino-2-methylpropan-2-ol
|
|
Chemical Data
|
|
SMILES:
|
CC(C)(O)CN
|
|
InChI Key:
|
LXQMHOKEXZETKB-UHFFFAOYAA
|
|
Molecular Formula:
|
C4H11NO
|
|
Molecular Weight:
|
89.1362
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-720
|
|
CAS Number
|
|
2867-59-6
|
|
IUPAC
|
|
3-aminobutan-1-ol
|
|
Chemical Data
|
|
SMILES:
|
CC(N)CCO
|
|
InChI Key:
|
AGMZSYQMSHMXLT-UHFFFAOYAY
|
|
Molecular Formula:
|
C4H11NO
|
|
Molecular Weight:
|
89.1362
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-934
|
|
IUPAC
|
|
(2S)-2-aminobut-3-enoic acid
|
|
Chemical Data
|
|
SMILES:
|
N[C@@H](C=C)C(O)=O |r|
|
|
InChI Key:
|
RQVLGLPAZTUBKX-VKHMYHEABE
|
|
Molecular Formula:
|
C4H7NO2
|
|
Molecular Weight:
|
101.1039
|
|
|
|
|
|
|
|
|
Compound Number
|
|
MolPort-000-000-980
|
|
IUPAC
|
|
3-amino-2-methylpropan-1-ol hydrochloride
|
|
Chemical Data
|
|
SMILES:
|
Cl.CC(CN)CO
|
|
InChI Key:
|
SZPCMDISHYFOHA-UHFFFAOYAB
|
|
Molecular Formula:
|
C4H12ClNO
|
|
Molecular Weight:
|
125.597
|
|
|
|