3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid

C14H18N2O4 — CID 66032730

IUPAC3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c17-12(6-8-16-7-2-1-3-13(16)18)15-11-5-4-10(9-11)14(19)20/h1-3,7,10-11H,4-6,8-9H2,(H,15,17)(H,19,20)
InChIKeyQSDORHMYAWOQIZ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.61
Rot. Bonds5

About 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid

3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 66032730) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID66032730
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H18N2O4/c17-12(6-8-16-7-2-1-3-13(16)18)15-11-5-4-10(9-11)14(19)20/h1-3,7,10-11H,4-6,8-9H2,(H,15,17)(H,19,20)
InChIKeyQSDORHMYAWOQIZ-UHFFFAOYSA-N
XLogP0.61
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21804993
4-[(1-Methyl-2-oxopyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 21805076
trans-4-{[3-(2-oxo-1(2H)-pyridinyl)propanoyl]amino}cyclohexanecarboxylic acid
CID 60810353
3-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 63044196
4-Methyl-6-[3-(2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 64364533
2-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812055
2-[3-(2-Oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64812674
2-[[3-(2-Oxo-1-pyridinyl)propanoylamino]methyl]cyclopentane-1-carboxylic acid
CID 65897425
3-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030153
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-[(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030533

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid (CID 66032730) is 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCn1ccccc1=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is QSDORHMYAWOQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-12(6-8-16-7-2-1-3-13(16)18)15-11-5-4-10(9-11)14(19)20/h1-3,7,10-11H,4-6,8-9H2,(H,15,17)(H,19,20).
What are the key properties of 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).