4-aminocyclohexene-1-carboxylic acid

C7H11NO2 — CID 45089116

IUPAC4-aminocyclohexene-1-carboxylic acid
SMILESNC1CC=C(C(=O)O)CC1
InChIInChI=1S/C7H11NO2/c8-6-3-1-5(2-4-6)7(9)10/h1,6H,2-4,8H2,(H,9,10)
InChIKeyKZUBJABFPQJQGO-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.51
Rot. Bonds1

About 4-aminocyclohexene-1-carboxylic acid

4-aminocyclohexene-1-carboxylic acid (PubChem CID 45089116) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-aminocyclohexene-1-carboxylic acid.

Molecular Properties

Compound Name4-aminocyclohexene-1-carboxylic acid
PubChem CID45089116
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-aminocyclohexene-1-carboxylic acid
SMILESNC1CC=C(C(=O)O)CC1
InChIInChI=1S/C7H11NO2/c8-6-3-1-5(2-4-6)7(9)10/h1,6H,2-4,8H2,(H,9,10)
InChIKeyKZUBJABFPQJQGO-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-aminocyclohexene-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 4-aminocyclohexene-1-carboxylic acid?
The IUPAC name of 4-aminocyclohexene-1-carboxylic acid (CID 45089116) is 4-aminocyclohexene-1-carboxylic acid.
What is the SMILES notation for 4-aminocyclohexene-1-carboxylic acid?
The canonical SMILES for 4-aminocyclohexene-1-carboxylic acid is NC1CC=C(C(=O)O)CC1.
What is the InChIKey of 4-aminocyclohexene-1-carboxylic acid?
The InChIKey is KZUBJABFPQJQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c8-6-3-1-5(2-4-6)7(9)10/h1,6H,2-4,8H2,(H,9,10).
What are the key properties of 4-aminocyclohexene-1-carboxylic acid?
4-aminocyclohexene-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexene-1-carboxylic acid is sourced from PubChem (CID 45089116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).