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

C15H22N2O4 — CID 82031535

IUPAC2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid
SMILESCCCC(NC(=O)C(CC)n1cc(C)ccc1=O)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-6-11(15(20)21)16-14(19)12(5-2)17-9-10(3)7-8-13(17)18/h7-9,11-12H,4-6H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyJQTBJPNZSSXXLP-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.48
Rot. Bonds7

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

2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid (PubChem CID 82031535) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid.

Molecular Properties

Compound Name2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid
PubChem CID82031535
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid
SMILESCCCC(NC(=O)C(CC)n1cc(C)ccc1=O)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-4-6-11(15(20)21)16-14(19)12(5-2)17-9-10(3)7-8-13(17)18/h7-9,11-12H,4-6H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyJQTBJPNZSSXXLP-UHFFFAOYSA-N
XLogP1.48
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]-4-methylsulfanylbutanoic acid
CID 82031534
4-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]butanoic acid
CID 82031532
2-[2-(4-methylphenoxy)propanoylamino]pentanoic acid
CID 43630623
2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid
CID 82031547
5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid
CID 82031085
2-(5-methyl-2-oxo-1-pyridinyl)propanoic acid
CID 82143352
2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid
CID 82031529
2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]-4-methylsulfanylbutanoic acid
CID 82031544
2-(2-ethylbutanoylamino)pentanoic acid
CID 43630315
N-(3-carbamothioylphenyl)-2-(5-methyl-2-oxo-1-pyridinyl)butanamide
CID 82031982
5-methyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)pyridin-2-one
CID 82031720
2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid
CID 61199945

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid?
The IUPAC name of 2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid (CID 82031535) is 2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid.
What is the SMILES notation for 2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid?
The canonical SMILES for 2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid is CCCC(NC(=O)C(CC)n1cc(C)ccc1=O)C(=O)O.
What is the InChIKey of 2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid?
The InChIKey is JQTBJPNZSSXXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-6-11(15(20)21)16-14(19)12(5-2)17-9-10(3)7-8-13(17)18/h7-9,11-12H,4-6H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid?
2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid is sourced from PubChem (CID 82031535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).