ethyl 2-amino-2-cyclohexylacetate;hydrochloride

C10H20ClNO2 — CID 22492156

IUPACethyl 2-amino-2-cyclohexylacetate;hydrochloride
SMILESCCOC(=O)C(N)C1CCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h8-9H,2-7,11H2,1H3;1H
InChIKeyLNPGXJHWTJYEPZ-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.88
Rot. Bonds3

About ethyl 2-amino-2-cyclohexylacetate;hydrochloride

ethyl 2-amino-2-cyclohexylacetate;hydrochloride (PubChem CID 22492156) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is ethyl 2-amino-2-cyclohexylacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-amino-2-cyclohexylacetate;hydrochloride
PubChem CID22492156
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Nameethyl 2-amino-2-cyclohexylacetate;hydrochloride
SMILESCCOC(=O)C(N)C1CCCCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h8-9H,2-7,11H2,1H3;1H
InChIKeyLNPGXJHWTJYEPZ-UHFFFAOYSA-N
XLogP1.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-amino-2-cyclohexylacetate;hydrochloride 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 ethyl 2-amino-2-cyclohexylacetate;hydrochloride?
The IUPAC name of ethyl 2-amino-2-cyclohexylacetate;hydrochloride (CID 22492156) is ethyl 2-amino-2-cyclohexylacetate;hydrochloride.
What is the SMILES notation for ethyl 2-amino-2-cyclohexylacetate;hydrochloride?
The canonical SMILES for ethyl 2-amino-2-cyclohexylacetate;hydrochloride is CCOC(=O)C(N)C1CCCCC1.Cl.
What is the InChIKey of ethyl 2-amino-2-cyclohexylacetate;hydrochloride?
The InChIKey is LNPGXJHWTJYEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-2-13-10(12)9(11)8-6-4-3-5-7-8;/h8-9H,2-7,11H2,1H3;1H.
What are the key properties of ethyl 2-amino-2-cyclohexylacetate;hydrochloride?
ethyl 2-amino-2-cyclohexylacetate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-cyclohexylacetate;hydrochloride is sourced from PubChem (CID 22492156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).