4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid

C13H18N2O4 — CID 43172444

IUPAC4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CCn1ccccc1=O
InChIInChI=1S/C13H18N2O4/c1-14(8-4-6-13(18)19)11(16)7-10-15-9-3-2-5-12(15)17/h2-3,5,9H,4,6-8,10H2,1H3,(H,18,19)
InChIKeyUSFRSCLJYUOCNL-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.56
Rot. Bonds7

About 4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid

4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid (PubChem CID 43172444) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid.

Molecular Properties

Compound Name4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid
PubChem CID43172444
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CCn1ccccc1=O
InChIInChI=1S/C13H18N2O4/c1-14(8-4-6-13(18)19)11(16)7-10-15-9-3-2-5-12(15)17/h2-3,5,9H,4,6-8,10H2,1H3,(H,18,19)
InChIKeyUSFRSCLJYUOCNL-UHFFFAOYSA-N
XLogP0.56
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid?
The IUPAC name of 4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid (CID 43172444) is 4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid.
What is the SMILES notation for 4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid?
The canonical SMILES for 4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid is CN(CCCC(=O)O)C(=O)CCn1ccccc1=O.
What is the InChIKey of 4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid?
The InChIKey is USFRSCLJYUOCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-14(8-4-6-13(18)19)11(16)7-10-15-9-3-2-5-12(15)17/h2-3,5,9H,4,6-8,10H2,1H3,(H,18,19).
What are the key properties of 4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid?
4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]butanoic acid is sourced from PubChem (CID 43172444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).