1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H16N2O4 — CID 119350667

IUPAC1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCn1cccc(C(=O)NC2(C(=O)O)CCCC2)c1=O
InChIInChI=1S/C13H16N2O4/c1-15-8-4-5-9(11(15)17)10(16)14-13(12(18)19)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)(H,18,19)
InChIKeySDNTVPYXHYHYPM-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.51
Rot. Bonds3

About 1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 119350667) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID119350667
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCn1cccc(C(=O)NC2(C(=O)O)CCCC2)c1=O
InChIInChI=1S/C13H16N2O4/c1-15-8-4-5-9(11(15)17)10(16)14-13(12(18)19)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)(H,18,19)
InChIKeySDNTVPYXHYHYPM-UHFFFAOYSA-N
XLogP0.51
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 122564246
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538552
1-[(1-propylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43639039
1-[(2-fluorobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81164018
4-methyl-1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341398
1-[(1-ethylpyrrole-2-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 43638907
2-methyl-2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]propanoic acid
CID 120515869
1-[(2-methylsulfanylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43351170
1-[(1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylic acid;2-(1-methylpyrrol-2-yl)-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
CID 159219818
1-[[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 114608649
3-acetyl-1-methylpyridin-2-one
CID 82527252

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 119350667) is 1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is Cn1cccc(C(=O)NC2(C(=O)O)CCCC2)c1=O.
What is the InChIKey of 1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is SDNTVPYXHYHYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-15-8-4-5-9(11(15)17)10(16)14-13(12(18)19)6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,16)(H,18,19).
What are the key properties of 1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119350667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).