2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid

C13H18N2O4 — CID 82031244

IUPAC2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid
SMILESCCC(NC(=O)CCn1c(C)cccc1=O)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-10(13(18)19)14-11(16)7-8-15-9(2)5-4-6-12(15)17/h4-6,10H,3,7-8H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyMKNYYSASFFERQR-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.53
Rot. Bonds6

About 2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid

2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid (PubChem CID 82031244) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid
PubChem CID82031244
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid
SMILESCCC(NC(=O)CCn1c(C)cccc1=O)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-3-10(13(18)19)14-11(16)7-8-15-9(2)5-4-6-12(15)17/h4-6,10H,3,7-8H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyMKNYYSASFFERQR-UHFFFAOYSA-N
XLogP0.53
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)propyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 74230940
3-(2-methyl-6-oxo-1-pyridinyl)-N-[(1S)-1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 126441957
2-[3-(2,4-dioxoquinazolin-1-yl)propanoylamino]butanoic acid
CID 119223783
2-[2-(2-methyl-6-oxo-1-pyridinyl)butanoylamino]butanoic acid
CID 82031547
4-(2-methyl-6-oxo-1-pyridinyl)butanoic acid
CID 60875461
N-[(2,5-dimethylphenyl)methyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 74248825
3-(2-methyl-6-oxo-1-pyridinyl)-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]propanamide
CID 126437741
N-[4-(aminomethyl)phenyl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 82032029
2-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)butanoic acid
CID 108806279
6-methyl-1-(4-oxopentyl)pyridin-2-one
CID 62023067
3-(2-methyl-6-oxo-1-pyridinyl)-N-[2-(1-phenylethyl)pyrazol-3-yl]propanamide
CID 134703573
methyl 4-(2-methyl-6-oxo-1-pyridinyl)butanoate
CID 60875653

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid?
The IUPAC name of 2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid (CID 82031244) is 2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid.
What is the SMILES notation for 2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid?
The canonical SMILES for 2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid is CCC(NC(=O)CCn1c(C)cccc1=O)C(=O)O.
What is the InChIKey of 2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid?
The InChIKey is MKNYYSASFFERQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-10(13(18)19)14-11(16)7-8-15-9(2)5-4-6-12(15)17/h4-6,10H,3,7-8H2,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid?
2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid is sourced from PubChem (CID 82031244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).