3-(propanoylamino)cyclopentane-1-carboxylic acid

C9H15NO3 — CID 66030513

IUPAC3-(propanoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-2-8(11)10-7-4-3-6(5-7)9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyMBVSUQVIOMFOBI-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.77
Rot. Bonds3

About 3-(propanoylamino)cyclopentane-1-carboxylic acid

3-(propanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 66030513) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-(propanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(propanoylamino)cyclopentane-1-carboxylic acid
PubChem CID66030513
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-(propanoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C9H15NO3/c1-2-8(11)10-7-4-3-6(5-7)9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyMBVSUQVIOMFOBI-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(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 3-(propanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(propanoylamino)cyclopentane-1-carboxylic acid (CID 66030513) is 3-(propanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(propanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(propanoylamino)cyclopentane-1-carboxylic acid is CCC(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-(propanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is MBVSUQVIOMFOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-8(11)10-7-4-3-6(5-7)9(12)13/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-(propanoylamino)cyclopentane-1-carboxylic acid?
3-(propanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).