cis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid

C14H18N2O4 — CID 106320059

IUPACcis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)N[C@H]1CC[C@@H](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)/t10-,11+/m1/s1
InChIKeyQSDORHMYAWOQIZ-MNOVXSKESA-N
MW278.31 g/mol
LogP0.61
Rot. Bonds5

About cis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106320059) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID106320059
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namecis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCn1ccccc1=O)N[C@H]1CC[C@@H](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)/t10-,11+/m1/s1
InChIKeyQSDORHMYAWOQIZ-MNOVXSKESA-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

Analyze cis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid (CID 106320059) is cis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCn1ccccc1=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is QSDORHMYAWOQIZ-MNOVXSKESA-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)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-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 cis-(1R,3S)-3-[3-(2-oxo-1-pyridinyl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106320059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).