ethyl 3-aminocyclobutane-1-carboxylate;hydrochloride

C7H14ClNO2 — CID 53308469

IUPACethyl 3-aminocyclobutane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CC(N)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-10-7(9)5-3-6(8)4-5;/h5-6H,2-4,8H2,1H3;1H
InChIKeyJEJWYGQWKNHONY-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.71
Rot. Bonds2

About ethyl 3-aminocyclobutane-1-carboxylate;hydrochloride

ethyl 3-aminocyclobutane-1-carboxylate;hydrochloride (PubChem CID 53308469) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is ethyl 3-aminocyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-aminocyclobutane-1-carboxylate;hydrochloride
PubChem CID53308469
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Nameethyl 3-aminocyclobutane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CC(N)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-2-10-7(9)5-3-6(8)4-5;/h5-6H,2-4,8H2,1H3;1H
InChIKeyJEJWYGQWKNHONY-UHFFFAOYSA-N
XLogP0.71
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-aminocyclobutane-1-carboxylate;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 3-aminocyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 3-aminocyclobutane-1-carboxylate;hydrochloride (CID 53308469) is ethyl 3-aminocyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 3-aminocyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 3-aminocyclobutane-1-carboxylate;hydrochloride is CCOC(=O)C1CC(N)C1.Cl.
What is the InChIKey of ethyl 3-aminocyclobutane-1-carboxylate;hydrochloride?
The InChIKey is JEJWYGQWKNHONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-2-10-7(9)5-3-6(8)4-5;/h5-6H,2-4,8H2,1H3;1H.
What are the key properties of ethyl 3-aminocyclobutane-1-carboxylate;hydrochloride?
ethyl 3-aminocyclobutane-1-carboxylate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-aminocyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 53308469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).