4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

C10H12N2O4 — CID 24699948

IUPAC4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H12N2O4/c13-8-4-3-7(6-12-8)10(16)11-5-1-2-9(14)15/h3-4,6H,1-2,5H2,(H,11,16)(H,12,13)(H,14,15)
InChIKeyCJZYFDRLASWHQX-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.03
Rot. Bonds5

About 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid

4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (PubChem CID 24699948) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
PubChem CID24699948
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
SMILESO=C(O)CCCNC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H12N2O4/c13-8-4-3-7(6-12-8)10(16)11-5-1-2-9(14)15/h3-4,6H,1-2,5H2,(H,11,16)(H,12,13)(H,14,15)
InChIKeyCJZYFDRLASWHQX-UHFFFAOYSA-N
XLogP-0.03
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Flupyradifurone-deschlorohydroxy succinamide
CID 177923716
1-[(6-Oxo-1,6-dihydropyridin-3-yl)carbonyl]piperidine-4-carboxylic acid
CID 3605122
4-[[(2E,4E)-4-ethylhexa-2,4-dienoyl]amino]butanoic acid
CID 14329800
6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24697002
3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 24700063
4-(4-Ethylhexa-2,4-dienoylamino)butanoic acid
CID 54188624
3-[5-(Methylcarbamoyl)-2-oxo-1-pyridinyl]propanoic acid
CID 57861621
4-[(5Z)-2,4-dioxo-5-[(6-oxo-1H-pyridin-3-yl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid
CID 60121562
4-[2,4-dioxo-5-[(6-oxo-1H-pyridin-3-yl)methylidene]-1,3-thiazolidin-3-yl]butanoic acid
CID 91508046
4-[[(2E,4Z)-2-ethenylhexa-2,4-dienoyl]amino]butanoic acid
CID 117886685
4-[(5-methylcyclohepta-1,4,6-triene-1-carbonyl)amino]butanoic acid;N-methylformamide
CID 141948220
4-[(5-Methylcyclohexa-1,5-diene-1-carbonyl)amino]butanoic acid
CID 143601186

Frequently Asked Questions

What is the IUPAC name of 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid (CID 24699948) is 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is O=C(O)CCCNC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
The InChIKey is CJZYFDRLASWHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-8-4-3-7(6-12-8)10(16)11-5-1-2-9(14)15/h3-4,6H,1-2,5H2,(H,11,16)(H,12,13)(H,14,15).
What are the key properties of 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid?
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid has a molecular weight of 224.22 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 24699948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).