2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid

C8H10N2O3 — CID 22326309

IUPAC2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid
SMILESNC(Cc1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C8H10N2O3/c9-6(8(12)13)4-5-2-1-3-10-7(5)11/h1-3,6H,4,9H2,(H,10,11)(H,12,13)
InChIKeyJSMFCONPURWVAV-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.67
Rot. Bonds3

About 2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid

2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid (PubChem CID 22326309) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid
PubChem CID22326309
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid
SMILESNC(Cc1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C8H10N2O3/c9-6(8(12)13)4-5-2-1-3-10-7(5)11/h1-3,6H,4,9H2,(H,10,11)(H,12,13)
InChIKeyJSMFCONPURWVAV-UHFFFAOYSA-N
XLogP-0.67
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(2-oxo-1H-pyridin-3-yl)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

(2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride
CID 171108500
2-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid
CID 55273449
2-amino-3-phenylpropanoic acid;1,4-dihydropyrazine-2,3-dione
CID 175303624
2-amino-3-(6-oxo-1H-pyrimidin-5-yl)propanoic acid;hydrochloride
CID 138991408
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
CID 10447189
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
(2S)-2-amino-3-[2-(deuteriomethyl)phenyl]propanoic acid
CID 123633145
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride
CID 162344777

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid (CID 22326309) is 2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid is NC(Cc1ccc[nH]c1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid?
The InChIKey is JSMFCONPURWVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-6(8(12)13)4-5-2-1-3-10-7(5)11/h1-3,6H,4,9H2,(H,10,11)(H,12,13).
What are the key properties of 2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid?
2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-oxo-1H-pyridin-3-yl)propanoic acid is sourced from PubChem (CID 22326309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).