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

C14H20N2O4 — CID 82031532

IUPAC4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid
SMILESCCC(C(=O)NCCCC(=O)O)n1cc(C)ccc1=O
InChIInChI=1S/C14H20N2O4/c1-3-11(14(20)15-8-4-5-13(18)19)16-9-10(2)6-7-12(16)17/h6-7,9,11H,3-5,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyCDNXGFGIZUEZLF-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.09
Rot. Bonds7

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

4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid (PubChem CID 82031532) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid.

Molecular Properties

Compound Name4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid
PubChem CID82031532
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid
SMILESCCC(C(=O)NCCCC(=O)O)n1cc(C)ccc1=O
InChIInChI=1S/C14H20N2O4/c1-3-11(14(20)15-8-4-5-13(18)19)16-9-10(2)6-7-12(16)17/h6-7,9,11H,3-5,8H2,1-2H3,(H,15,20)(H,18,19)
InChIKeyCDNXGFGIZUEZLF-UHFFFAOYSA-N
XLogP1.09
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]-4-methylsulfanylbutanoic acid
CID 82031534
N-(4-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide
CID 82032016
N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide
CID 82031982
4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 97269726
4-[[methyl-[1-(4-methylphenyl)propan-2-yl]carbamoyl]amino]butanoic acid
CID 122023178
4-(2-phenoxybutanoylamino)butanoic acid
CID 43091993
4-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120513410
4-[[3-(5-chloro-2-oxo-1-pyridinyl)-2,2-dimethylpropanoyl]amino]butanoic acid
CID 92940775
4-[2-(2-methylphenoxy)butanoylamino]butanoic acid
CID 119352556
4-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]butanoic acid
CID 43091994
4-[[1-hydroxy-1-(4-methylphenyl)butan-2-yl]amino]butanoic acid
CID 82312389
dodecanedioic acid;1,4-xylene
CID 66586315

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid?
The IUPAC name of 4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid (CID 82031532) is 4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid.
What is the SMILES notation for 4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid?
The canonical SMILES for 4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid is CCC(C(=O)NCCCC(=O)O)n1cc(C)ccc1=O.
What is the InChIKey of 4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid?
The InChIKey is CDNXGFGIZUEZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-11(14(20)15-8-4-5-13(18)19)16-9-10(2)6-7-12(16)17/h6-7,9,11H,3-5,8H2,1-2H3,(H,15,20)(H,18,19).
What are the key properties of 4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid?
4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid is sourced from PubChem (CID 82031532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).