4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid

C8H10N2O3 — CID 55264048

IUPAC4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid
SMILESN[C@H](CO)c1ccncc1C(=O)O
InChIInChI=1S/C8H10N2O3/c9-7(4-11)5-1-2-10-3-6(5)8(12)13/h1-3,7,11H,4,9H2,(H,12,13)/t7-/m1/s1
InChIKeyZZNGJNTYMSHAOL-SSDOTTSWSA-N
MW182.18 g/mol
LogP-0.23
Rot. Bonds3

About 4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid

4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid (PubChem CID 55264048) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid
PubChem CID55264048
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid
SMILESN[C@H](CO)c1ccncc1C(=O)O
InChIInChI=1S/C8H10N2O3/c9-7(4-11)5-1-2-10-3-6(5)8(12)13/h1-3,7,11H,4,9H2,(H,12,13)/t7-/m1/s1
InChIKeyZZNGJNTYMSHAOL-SSDOTTSWSA-N
XLogP-0.23
TPSA96.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1S)-1-amino-2-hydroxyethyl]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-3-hydroxypropyl]pyridine-3-carboxylic acid
CID 55269515
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylbenzoic acid
CID 55274516
(2R)-2-amino-2-(4-chloro-3-pyridinyl)ethanol
CID 130738472
2-[(1S)-1-amino-2-hydroxyethyl]-5-iodobenzoic acid
CID 66516246
2-[(1R)-1-amino-2-hydroxyethyl]-5-bromobenzoic acid
CID 66515307
3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid
CID 55293779
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
3-[(1S)-1-amino-2-hydroxyethyl]-2-fluorobenzoic acid
CID 66514170
4-(2-hydroxyethylsulfanyl)pyridine-3-carboxylic acid
CID 79007092
2-(1-amino-2-hydroxyethyl)pyridine-3-carboxylic acid
CID 55293543
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
2-amino-2-isoquinolin-5-ylethanol
CID 55271452

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid (CID 55264048) is 4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid is N[C@H](CO)c1ccncc1C(=O)O.
What is the InChIKey of 4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid?
The InChIKey is ZZNGJNTYMSHAOL-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-7(4-11)5-1-2-10-3-6(5)8(12)13/h1-3,7,11H,4,9H2,(H,12,13)/t7-/m1/s1.
What are the key properties of 4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid?
4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 55264048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).