5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid

C9H12N2O3 — CID 55276625

IUPAC5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid
SMILESC[C@@](N)(CO)c1cncc(C(=O)O)c1
InChIInChI=1S/C9H12N2O3/c1-9(10,5-12)7-2-6(8(13)14)3-11-4-7/h2-4,12H,5,10H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyBTDCILLGPXQNJI-SECBINFHSA-N
MW196.21 g/mol
LogP-0.05
Rot. Bonds3

About 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid

5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid (PubChem CID 55276625) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid
PubChem CID55276625
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid
SMILESC[C@@](N)(CO)c1cncc(C(=O)O)c1
InChIInChI=1S/C9H12N2O3/c1-9(10,5-12)7-2-6(8(13)14)3-11-4-7/h2-4,12H,5,10H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyBTDCILLGPXQNJI-SECBINFHSA-N
XLogP-0.05
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2R)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxamide
CID 130640858
(2R)-2-amino-2-(5-methyl-3-pyridinyl)propan-1-ol
CID 130987369
5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridin-3-ol
CID 55276734
2-amino-2-(5-fluoro-3-pyridinyl)propan-1-ol
CID 55292830
5-tert-butylpyridine-3-carboxamide
CID 59788901
(3R)-3-amino-3-(5-methyl-3-pyridinyl)butanoic acid
CID 55295835
pyridine-3,5-dicarboxylic acid;hydrochloride
CID 66910809
pyridine-3,5-dicarboxylic acid;dihydrobromide
CID 139466512
5-ethylsulfonylpyridine-3-carboxylic acid
CID 4738597
5-(1,1-difluoroethyl)pyridine-3-carboxamide
CID 170579428
5-(aminomethyl)pyridine-3-carboxylic acid;dihydrochloride
CID 139034068
ethyl 5-(2-methylbutan-2-yl)pyridine-3-carboxylate
CID 178133501

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid (CID 55276625) is 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid is C[C@@](N)(CO)c1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid?
The InChIKey is BTDCILLGPXQNJI-SECBINFHSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-9(10,5-12)7-2-6(8(13)14)3-11-4-7/h2-4,12H,5,10H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid?
5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-amino-1-hydroxypropan-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 55276625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).