2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H14N2O4 — CID 64813058

IUPAC2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H14N2O4/c15-10-5-4-7(6-13-10)11(16)14-9-3-1-2-8(9)12(17)18/h4-6,8-9H,1-3H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyWAXJWXNRMDYRNN-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.36
Rot. Bonds3

About 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64813058) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64813058
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1ccc(=O)[nH]c1
InChIInChI=1S/C12H14N2O4/c15-10-5-4-7(6-13-10)11(16)14-9-3-1-2-8(9)12(17)18/h4-6,8-9H,1-3H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyWAXJWXNRMDYRNN-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
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
2-[(1-Butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 69475721
1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 43151430
2-[1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370066
3-[1-(6-oxo-1H-pyridine-3-carbonyl)piperidin-4-yl]propanoic acid
CID 62216281
3-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044185
4-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]heptanoic acid
CID 64342040
5-methyl-4-[2-[(6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]hexanoic acid
CID 64346295
4-ethyl-6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 64350598
4-methyl-6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 64365714
2-[1-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclohexyl]acetic acid
CID 64670575
{1-[(6-Oxo-1,6-dihydropyridine-3-carbonyl)amino]cyclopentyl}acetic acid
CID 64671598

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 64813058) is 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)c1ccc(=O)[nH]c1.
What is the InChIKey of 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is WAXJWXNRMDYRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10-5-4-7(6-13-10)11(16)14-9-3-1-2-8(9)12(17)18/h4-6,8-9H,1-3H2,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).