3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid

C8H10N2O3 — CID 55293779

IUPAC3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid
SMILESNC(CC(=O)O)c1ccncc1O
InChIInChI=1S/C8H10N2O3/c9-6(3-8(12)13)5-1-2-10-4-7(5)11/h1-2,4,6,11H,3,9H2,(H,12,13)
InChIKeyBTHQIUSOVUVNCZ-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.26
Rot. Bonds3

About 3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid

3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid (PubChem CID 55293779) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid
PubChem CID55293779
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid
SMILESNC(CC(=O)O)c1ccncc1O
InChIInChI=1S/C8H10N2O3/c9-6(3-8(12)13)5-1-2-10-4-7(5)11/h1-2,4,6,11H,3,9H2,(H,12,13)
InChIKeyBTHQIUSOVUVNCZ-UHFFFAOYSA-N
XLogP0.26
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 ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-amino-3-(3-hydroxy-4-pyridinyl)propanoic 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

2-amino-2-(3-hydroxy-4-pyridinyl)acetic acid
CID 55293514
(3S)-3-amino-3-(2,4-dihydroxyphenyl)propanoic acid
CID 9152250
4-[(1S)-1-amino-2-methoxyethyl]pyridin-3-ol
CID 55294329
3-amino-3-(2,5-dihydroxyphenyl)propanoic acid
CID 53417335
(3R)-3-amino-3-(2-hydroxy-4-sulfanylphenyl)propanoic acid
CID 131038262
3-amino-3-(2-bromo-3-hydroxyphenyl)propanoic acid
CID 130041935
(3S)-3-amino-3-(4-pyridin-4-ylphenyl)propanoic acid
CID 124679314
3-amino-3-(4-amino-3-pyridinyl)propanamide
CID 55255993
methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55278233
(3S)-3-amino-3-(2-hydroxy-5-sulfanylphenyl)propanoic acid
CID 130744380
4-[(1S)-1-amino-2-hydroxyethyl]pyridine-3-carboxylic acid
CID 55264048
3-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 53417344

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid?
The IUPAC name of 3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid (CID 55293779) is 3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid?
The canonical SMILES for 3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid is NC(CC(=O)O)c1ccncc1O.
What is the InChIKey of 3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid?
The InChIKey is BTHQIUSOVUVNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-6(3-8(12)13)5-1-2-10-4-7(5)11/h1-2,4,6,11H,3,9H2,(H,12,13).
What are the key properties of 3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid?
3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid is sourced from PubChem (CID 55293779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).