4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid

C13H17ClN2O4 — CID 82031405

IUPAC4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)CCCn1cc(Cl)ccc1=O
InChIInChI=1S/C13H17ClN2O4/c14-10-5-6-12(18)16(9-10)8-2-3-11(17)15-7-1-4-13(19)20/h5-6,9H,1-4,7-8H2,(H,15,17)(H,19,20)
InChIKeyJHCCHCPXTLLSKJ-UHFFFAOYSA-N
MW300.74 g/mol
LogP1.26
Rot. Bonds8

About 4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid

4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid (PubChem CID 82031405) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is 4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid
PubChem CID82031405
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Name4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)CCCn1cc(Cl)ccc1=O
InChIInChI=1S/C13H17ClN2O4/c14-10-5-6-12(18)16(9-10)8-2-3-11(17)15-7-1-4-13(19)20/h5-6,9H,1-4,7-8H2,(H,15,17)(H,19,20)
InChIKeyJHCCHCPXTLLSKJ-UHFFFAOYSA-N
XLogP1.26
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic 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

4-[5-(5-chloro-2-oxo-1-pyridinyl)pentanoylamino]butanoic acid
CID 92941117
4-[[3-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylpropanoyl]amino]butanoic acid
CID 92940775
4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid
CID 82031259
6-[4-(4-chlorophenyl)butanoylamino]hexanoic acid
CID 94966413
N-(2-aminoethyl)-4-(2-oxo-1-pyridinyl)butanamide
CID 82031758
4-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]butanoic acid
CID 146519750
3-(4-chlorophenyl)sulfanyl-N-[4-(2-oxo-1-pyridinyl)butyl]propanamide
CID 86855668
1-[4-(5-chloro-2-oxo-1-pyridinyl)butanoyl]pyrrolidine-2-carboxylic acid
CID 82031417
6-oxo-6-[(6-oxo-1-propyl-3-pyridinyl)amino]hexanoic acid
CID 60933349
4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]butanoic acid
CID 108788657
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 43091994
4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
CID 2545215

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid?
The IUPAC name of 4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid (CID 82031405) is 4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid.
What is the SMILES notation for 4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid?
The canonical SMILES for 4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid is O=C(O)CCCNC(=O)CCCn1cc(Cl)ccc1=O.
What is the InChIKey of 4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid?
The InChIKey is JHCCHCPXTLLSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c14-10-5-6-12(18)16(9-10)8-2-3-11(17)15-7-1-4-13(19)20/h5-6,9H,1-4,7-8H2,(H,15,17)(H,19,20).
What are the key properties of 4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid?
4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid has a molecular weight of 300.74 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid is sourced from PubChem (CID 82031405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).