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

C14H18N2O4 — CID 43351363

IUPAC1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H18N2O4/c17-11(6-10-16-9-4-1-5-12(16)18)15-14(13(19)20)7-2-3-8-14/h1,4-5,9H,2-3,6-8,10H2,(H,15,17)(H,19,20)
InChIKeyKPGYNPJPPYQMLP-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.75
Rot. Bonds5

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

1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 43351363) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID43351363
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H18N2O4/c17-11(6-10-16-9-4-1-5-12(16)18)15-14(13(19)20)7-2-3-8-14/h1,4-5,9H,2-3,6-8,10H2,(H,15,17)(H,19,20)
InChIKeyKPGYNPJPPYQMLP-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid (CID 43351363) is 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCn1ccccc1=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KPGYNPJPPYQMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-11(6-10-16-9-4-1-5-12(16)18)15-14(13(19)20)7-2-3-8-14/h1,4-5,9H,2-3,6-8,10H2,(H,15,17)(H,19,20).
What are the key properties of 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).