2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid

C14H21NO3 — CID 82759781

IUPAC2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)CC1C=CCC1
InChIInChI=1S/C14H21NO3/c1-14(13(17)18)8-4-7-11(14)15-12(16)9-10-5-2-3-6-10/h2,5,10-11H,3-4,6-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyBZPMOBAVQPJYRQ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.10
Rot. Bonds4

About 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid

2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82759781) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82759781
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)CC1C=CCC1
InChIInChI=1S/C14H21NO3/c1-14(13(17)18)8-4-7-11(14)15-12(16)9-10-5-2-3-6-10/h2,5,10-11H,3-4,6-9H2,1H3,(H,15,16)(H,17,18)
InChIKeyBZPMOBAVQPJYRQ-UHFFFAOYSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-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 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid (CID 82759781) is 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)CC1C=CCC1.
What is the InChIKey of 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is BZPMOBAVQPJYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(13(17)18)8-4-7-11(14)15-12(16)9-10-5-2-3-6-10/h2,5,10-11H,3-4,6-9H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid?
2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopent-2-en-1-ylacetyl)amino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82759781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).