2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid

C14H20N2O4 — CID 82031547

IUPAC2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid
SMILESCCC(NC(=O)C(CC)n1c(C)cccc1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-4-10(14(19)20)15-13(18)11(5-2)16-9(3)7-6-8-12(16)17/h6-8,10-11H,4-5H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyCYHRRVILWDZCAK-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.09
Rot. Bonds6

About 2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid

2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid (PubChem CID 82031547) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid.

Molecular Properties

Compound Name2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid
PubChem CID82031547
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid
SMILESCCC(NC(=O)C(CC)n1c(C)cccc1=O)C(=O)O
InChIInChI=1S/C14H20N2O4/c1-4-10(14(19)20)15-13(18)11(5-2)16-9(3)7-6-8-12(16)17/h6-8,10-11H,4-5H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyCYHRRVILWDZCAK-UHFFFAOYSA-N
XLogP1.09
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]-4-methylsulfanylbutanoic acid
CID 82031544
2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 82031244
N-(3-carbamothioylphenyl)-2-(2-methyl-6-oxo-1-pyridinyl)butanamide
CID 82031983
2-fluoro-2-(2-methyl-6-oxo-1-pyridinyl)acetic acid
CID 81297756
2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]pentanoic acid
CID 82031535
2-[2-(4-methyl-2-oxo-1-pyridinyl)butanoylamino]-3-phenylpropanoic acid
CID 82031529
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]butanoic acid
CID 43469560
(2R)-2-[(3-methylbenzoyl)amino]butanoic acid
CID 42255033
(2S)-2-[(5-iodo-2-methylphenyl)carbamoylamino]butanoic acid
CID 114257728
2-[2-(5-methyl-2-oxo-1-pyridinyl)butanoylamino]-4-methylsulfanylbutanoic acid
CID 82031534
(2S)-2-[(2,2-difluoroacetyl)amino]butanoic acid
CID 103513419
2-[2-(4-methylphenoxy)propanoylamino]butanoic acid
CID 43387334

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid?
The IUPAC name of 2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid (CID 82031547) is 2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid.
What is the SMILES notation for 2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid?
The canonical SMILES for 2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid is CCC(NC(=O)C(CC)n1c(C)cccc1=O)C(=O)O.
What is the InChIKey of 2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid?
The InChIKey is CYHRRVILWDZCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-10(14(19)20)15-13(18)11(5-2)16-9(3)7-6-8-12(16)17/h6-8,10-11H,4-5H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid?
2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid is sourced from PubChem (CID 82031547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).