3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C13H16N2O4 — CID 66030153

IUPAC3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCn1ccc(C(=O)NC2CCC(C(=O)O)C2)cc1=O
InChIInChI=1S/C13H16N2O4/c1-15-5-4-8(7-11(15)16)12(17)14-10-3-2-9(6-10)13(18)19/h4-5,7,9-10H,2-3,6H2,1H3,(H,14,17)(H,18,19)
InChIKeyKYJRGPJFSKBHIW-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.37
Rot. Bonds3

About 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66030153) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66030153
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCn1ccc(C(=O)NC2CCC(C(=O)O)C2)cc1=O
InChIInChI=1S/C13H16N2O4/c1-15-5-4-8(7-11(15)16)12(17)14-10-3-2-9(6-10)13(18)19/h4-5,7,9-10H,2-3,6H2,1H3,(H,14,17)(H,18,19)
InChIKeyKYJRGPJFSKBHIW-UHFFFAOYSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 60808224
3-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63042033
4-Ethyl-6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid
CID 64349211
4-Methyl-6-[(1-methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid
CID 64366508
2-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64814321
(3S)-5-methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid
CID 65494306
5-Methyl-3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]hexanoic acid
CID 65494540
2-[[(1-Methyl-2-oxopyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 65896824
3-(3-Methylbut-2-enamido)cyclopentane-1-carboxylic acid
CID 65998264
3-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030310
3-[[2-(5-Bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030349
3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031726

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 66030153) is 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is Cn1ccc(C(=O)NC2CCC(C(=O)O)C2)cc1=O.
What is the InChIKey of 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is KYJRGPJFSKBHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-15-5-4-8(7-11(15)16)12(17)14-10-3-2-9(6-10)13(18)19/h4-5,7,9-10H,2-3,6H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).