1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H14N2O4 — CID 43151430

IUPAC1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H14N2O4/c15-9-4-3-8(7-13-9)10(16)14-12(11(17)18)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyIZUSDBNCBDFWGQ-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.50
Rot. Bonds3

About 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43151430) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43151430
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H14N2O4/c15-9-4-3-8(7-13-9)10(16)14-12(11(17)18)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyIZUSDBNCBDFWGQ-UHFFFAOYSA-N
XLogP0.50
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24697002
1-(6-Oxo-1,6-dihydropyridine-3-carboxamido)cyclohexane-1-carboxylic acid
CID 24698201
1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 24695413
3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 24704009
4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 24709866
(2S)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 28182790
(2R)-1-(6-oxo-1H-pyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 28182792
(2S,3S)-3-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 28203385
(2R)-4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 28213735
(2S)-4-methyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 28213737
2-cyclopropyl-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 43341258
4-methyl-1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43341405

Frequently Asked Questions

What is the IUPAC name of 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43151430) is 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is IZUSDBNCBDFWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-9-4-3-8(7-13-9)10(16)14-12(11(17)18)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43151430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).