4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid

C9H12N2O3 — CID 55269515

IUPAC4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid
SMILESN[C@@H](CCO)c1ccncc1C(=O)O
InChIInChI=1S/C9H12N2O3/c10-8(2-4-12)6-1-3-11-5-7(6)9(13)14/h1,3,5,8,12H,2,4,10H2,(H,13,14)/t8-/m0/s1
InChIKeySKFXWWLUOHTDCL-QMMMGPOBSA-N
MW196.21 g/mol
LogP0.16
Rot. Bonds4

About 4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid

4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid (PubChem CID 55269515) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid
PubChem CID55269515
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid
SMILESN[C@@H](CCO)c1ccncc1C(=O)O
InChIInChI=1S/C9H12N2O3/c10-8(2-4-12)6-1-3-11-5-7(6)9(13)14/h1,3,5,8,12H,2,4,10H2,(H,13,14)/t8-/m0/s1
InChIKeySKFXWWLUOHTDCL-QMMMGPOBSA-N
XLogP0.16
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1S)-1-amino-3-hydroxypropyl]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

4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid
CID 55264048
3-amino-3-(3-amino-4-pyridinyl)propan-1-ol
CID 55292643
4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid
CID 79007092
4-[(2-ethyl-4-hydroxybutyl)amino]pyridine-3-carboxylic acid
CID 81244416
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114177024
3-(4-hydroxybutan-2-ylamino)pyridine-4-carboxylic acid
CID 83187293
3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid
CID 55293779
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
4-[(2-amino-2-oxoethyl)-propan-2-ylamino]pyridine-3-carboxylic acid
CID 81244428
2-[(1S)-1,3-diaminopropyl]benzoic acid
CID 171220788
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid (CID 55269515) is 4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid is N[C@@H](CCO)c1ccncc1C(=O)O.
What is the InChIKey of 4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid?
The InChIKey is SKFXWWLUOHTDCL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-8(2-4-12)6-1-3-11-5-7(6)9(13)14/h1,3,5,8,12H,2,4,10H2,(H,13,14)/t8-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid?
4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-3-hydroxypropyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 55269515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).