2-amino-3-oxo-3-pyridin-2-ylpropanoic acid

C8H8N2O3 — CID 116920563

IUPAC2-amino-3-oxo-3-pyridin-2-ylpropanoic acid
SMILESNC(C(=O)O)C(=O)c1ccccn1
InChIInChI=1S/C8H8N2O3/c9-6(8(12)13)7(11)5-3-1-2-4-10-5/h1-4,6H,9H2,(H,12,13)
InChIKeyCIZSWMDIYHPIME-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.32
Rot. Bonds3

About 2-amino-3-oxo-3-pyridin-2-ylpropanoic acid

2-amino-3-oxo-3-pyridin-2-ylpropanoic acid (PubChem CID 116920563) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-amino-3-oxo-3-pyridin-2-ylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-oxo-3-pyridin-2-ylpropanoic acid
PubChem CID116920563
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-amino-3-oxo-3-pyridin-2-ylpropanoic acid
SMILESNC(C(=O)O)C(=O)c1ccccn1
InChIInChI=1S/C8H8N2O3/c9-6(8(12)13)7(11)5-3-1-2-4-10-5/h1-4,6H,9H2,(H,12,13)
InChIKeyCIZSWMDIYHPIME-UHFFFAOYSA-N
XLogP-0.32
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-amino-2-methyl-5-oxo-5-pyridin-2-ylpentanoic acid
CID 175055439
gadolinium;pyridine-2-carboxylic acid
CID 175231422
2,3-dihydroxybutanedioic acid;pyridine-2-carboxamide
CID 174601902
CID 173156131
CID 173156131
pyridine-2-carboxylic acid;tungsten
CID 88770661
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 175246691
CID 175246691
europium;pyridine-2-carboxylic acid
CID 174808227
sodium;pyridine-2-carboxylic acid;hydroxide
CID 162223571
oxovanadium;bis(pyridine-2-carboxylic acid)
CID 73357763
2-anilino-1-pyridin-2-ylpropan-1-one
CID 160887436
bis((2S)-2-hydroxy-2-phenylacetic acid);bis(pyridine-2-carboxamide)
CID 139198136

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-oxo-3-pyridin-2-ylpropanoic acid?
The IUPAC name of 2-amino-3-oxo-3-pyridin-2-ylpropanoic acid (CID 116920563) is 2-amino-3-oxo-3-pyridin-2-ylpropanoic acid.
What is the SMILES notation for 2-amino-3-oxo-3-pyridin-2-ylpropanoic acid?
The canonical SMILES for 2-amino-3-oxo-3-pyridin-2-ylpropanoic acid is NC(C(=O)O)C(=O)c1ccccn1.
What is the InChIKey of 2-amino-3-oxo-3-pyridin-2-ylpropanoic acid?
The InChIKey is CIZSWMDIYHPIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-6(8(12)13)7(11)5-3-1-2-4-10-5/h1-4,6H,9H2,(H,12,13).
What are the key properties of 2-amino-3-oxo-3-pyridin-2-ylpropanoic acid?
2-amino-3-oxo-3-pyridin-2-ylpropanoic acid has a molecular weight of 180.16 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-oxo-3-pyridin-2-ylpropanoic acid is sourced from PubChem (CID 116920563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).