2-amino-4-methylidenecyclopentane-1-carboxylic acid

C7H11NO2 — CID 11701051

IUPAC2-amino-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1CC(N)C(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-4-2-5(7(9)10)6(8)3-4/h5-6H,1-3,8H2,(H,9,10)
InChIKeyRKOUGZGFAYMUIO-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.36
Rot. Bonds1

About 2-amino-4-methylidenecyclopentane-1-carboxylic acid

2-amino-4-methylidenecyclopentane-1-carboxylic acid (PubChem CID 11701051) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-amino-4-methylidenecyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-amino-4-methylidenecyclopentane-1-carboxylic acid
PubChem CID11701051
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-amino-4-methylidenecyclopentane-1-carboxylic acid
SMILESC=C1CC(N)C(C(=O)O)C1
InChIInChI=1S/C7H11NO2/c1-4-2-5(7(9)10)6(8)3-4/h5-6H,1-3,8H2,(H,9,10)
InChIKeyRKOUGZGFAYMUIO-UHFFFAOYSA-N
XLogP0.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-amino-4-methylidenecyclopentane-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-amino-4-methylidenecyclopentane-1-carboxylic acid?
The IUPAC name of 2-amino-4-methylidenecyclopentane-1-carboxylic acid (CID 11701051) is 2-amino-4-methylidenecyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-amino-4-methylidenecyclopentane-1-carboxylic acid?
The canonical SMILES for 2-amino-4-methylidenecyclopentane-1-carboxylic acid is C=C1CC(N)C(C(=O)O)C1.
What is the InChIKey of 2-amino-4-methylidenecyclopentane-1-carboxylic acid?
The InChIKey is RKOUGZGFAYMUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-2-5(7(9)10)6(8)3-4/h5-6H,1-3,8H2,(H,9,10).
What are the key properties of 2-amino-4-methylidenecyclopentane-1-carboxylic acid?
2-amino-4-methylidenecyclopentane-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylidenecyclopentane-1-carboxylic acid is sourced from PubChem (CID 11701051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).