2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid

C11H19NO2 — CID 114620384

IUPAC2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C1C=CCCC1
InChIInChI=1S/C11H19NO2/c1-9(2)12(8-11(13)14)10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,13,14)
InChIKeyGRAKZSCSHOFQRK-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.89
Rot. Bonds4

About 2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid

2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid (PubChem CID 114620384) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid
PubChem CID114620384
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C1C=CCCC1
InChIInChI=1S/C11H19NO2/c1-9(2)12(8-11(13)14)10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,13,14)
InChIKeyGRAKZSCSHOFQRK-UHFFFAOYSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic 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-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid (CID 114620384) is 2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)C1C=CCCC1.
What is the InChIKey of 2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid?
The InChIKey is GRAKZSCSHOFQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)12(8-11(13)14)10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid?
2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohex-2-en-1-yl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 114620384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).