methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride

C7H14ClNO2 — CID 43811188

IUPACmethyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(CN)CCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-6(9)7(5-8)3-2-4-7;/h2-5,8H2,1H3;1H
InChIKeySJRYNNUCUQDHGO-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.71
Rot. Bonds2

About methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride

methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride (PubChem CID 43811188) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
PubChem CID43811188
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namemethyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(CN)CCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-10-6(9)7(5-8)3-2-4-7;/h2-5,8H2,1H3;1H
InChIKeySJRYNNUCUQDHGO-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

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Related Compounds

Ethyl 1-(aminomethyl)cyclobutane-1-carboxylate hydrochloride
CID 53621921
Tert-butyl 1-(aminomethyl)cyclobutane-1-carboxylate
CID 66797588
Methyl 3-(aminomethyl)bicyclo[1.1.1]pentane-1-carboxylate hydrochloride
CID 118997538
Methyl 1-(aminomethyl)-3,3-difluorocyclobutane-1-carboxylate hydrochloride
CID 145874325
Methyl 2-(aminomethyl)pentanoate hydrochloride
CID 155820658
Methyl 1-(Aminomethyl)cyclobutanecarboxylate
CID 25918829
Ethyl 1-(aminomethyl)cyclobutanecarboxylate
CID 45122079
Methyl 2-(aminomethyl)pentanoate
CID 65220226
Methyl 2-(aminomethyl)-2-(fluoromethyl)pentanoate
CID 105436910
Methyl 2-(aminomethyl)-5-fluoro-2-methylpentanoate
CID 106487859
Methyl 1-(aminomethyl)-3,3-difluorocyclobutane-1-carboxylate
CID 137939373
1-(Aminomethyl)cyclobutanecarboxylic acid
CID 23405971

Frequently Asked Questions

What is the IUPAC name of methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride (CID 43811188) is methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride is COC(=O)C1(CN)CCC1.Cl.
What is the InChIKey of methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride?
The InChIKey is SJRYNNUCUQDHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-10-6(9)7(5-8)3-2-4-7;/h2-5,8H2,1H3;1H.
What are the key properties of methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride?
methyl 1-(aminomethyl)cyclobutane-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 methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 43811188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).