2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C9H10N2O4 — CID 24698493

IUPAC2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C9H10N2O4/c1-5(9(14)15)11-8(13)6-3-2-4-10-7(6)12/h2-5H,1H3,(H,10,12)(H,11,13)(H,14,15)
InChIKeyJUPOCIPWTMPMQI-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.42
Rot. Bonds3

About 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 24698493) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID24698493
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C9H10N2O4/c1-5(9(14)15)11-8(13)6-3-2-4-10-7(6)12/h2-5H,1H3,(H,10,12)(H,11,13)(H,14,15)
InChIKeyJUPOCIPWTMPMQI-UHFFFAOYSA-N
XLogP-0.42
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 24698493) is 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is CC(NC(=O)c1ccc[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is JUPOCIPWTMPMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-5(9(14)15)11-8(13)6-3-2-4-10-7(6)12/h2-5H,1H3,(H,10,12)(H,11,13)(H,14,15).
What are the key properties of 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 210.19 g/mol, XLogP of -0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 24698493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).