methyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride

C8H16ClNO2 — CID 155820590

IUPACmethyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride
SMILESCOC(=O)CC1(CN)CCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-7(10)5-8(6-9)3-2-4-8;/h2-6,9H2,1H3;1H
InChIKeyDNIGKAIKMZFNJY-UHFFFAOYSA-N
MW193.67 g/mol
LogP1.10
Rot. Bonds3

About methyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride

methyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride (PubChem CID 155820590) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is methyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride
PubChem CID155820590
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namemethyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride
SMILESCOC(=O)CC1(CN)CCC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-11-7(10)5-8(6-9)3-2-4-8;/h2-6,9H2,1H3;1H
InChIKeyDNIGKAIKMZFNJY-UHFFFAOYSA-N
XLogP1.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[1-(aminomethyl)cyclobutyl]acetate;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 methyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride?
The IUPAC name of methyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride (CID 155820590) is methyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride is COC(=O)CC1(CN)CCC1.Cl.
What is the InChIKey of methyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride?
The InChIKey is DNIGKAIKMZFNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-11-7(10)5-8(6-9)3-2-4-8;/h2-6,9H2,1H3;1H.
What are the key properties of methyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride?
methyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(aminomethyl)cyclobutyl]acetate;hydrochloride is sourced from PubChem (CID 155820590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).