3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

C10H12N2O4 — CID 43242047

IUPAC3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H12N2O4/c1-6(4-9(14)15)12-10(16)7-2-3-8(13)11-5-7/h2-3,5-6H,4H2,1H3,(H,11,13)(H,12,16)(H,14,15)
InChIKeyDUVCOSSZFBFHPA-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.03
Rot. Bonds4

About 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (PubChem CID 43242047) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
PubChem CID43242047
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESCC(CC(=O)O)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H12N2O4/c1-6(4-9(14)15)12-10(16)7-2-3-8(13)11-5-7/h2-3,5-6H,4H2,1H3,(H,11,13)(H,12,16)(H,14,15)
InChIKeyDUVCOSSZFBFHPA-UHFFFAOYSA-N
XLogP-0.03
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (CID 43242047) is 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is CC(CC(=O)O)NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is DUVCOSSZFBFHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6(4-9(14)15)12-10(16)7-2-3-8(13)11-5-7/h2-3,5-6H,4H2,1H3,(H,11,13)(H,12,16)(H,14,15).
What are the key properties of 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 224.22 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 43242047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).