2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate

C12H21NO2 — CID 106203040

IUPAC2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate
SMILESNCC1(C(=O)OCCC2CCC2)CCC1
InChIInChI=1S/C12H21NO2/c13-9-12(6-2-7-12)11(14)15-8-5-10-3-1-4-10/h10H,1-9,13H2
InChIKeyIOOHIJWGXGOUBR-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.85
Rot. Bonds5

About 2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate

2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate (PubChem CID 106203040) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate
PubChem CID106203040
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate
SMILESNCC1(C(=O)OCCC2CCC2)CCC1
InChIInChI=1S/C12H21NO2/c13-9-12(6-2-7-12)11(14)15-8-5-10-3-1-4-10/h10H,1-9,13H2
InChIKeyIOOHIJWGXGOUBR-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(cyclobutylmethyl)cyclobutane-1-carboxamide
CID 80587767
1-[1-(aminomethyl)cycloheptyl]-2-cyclobutylethanone
CID 116602062
cyclopentyl 1-(aminomethyl)cyclobutane-1-carboxylate
CID 115446204
cyclobutyl 1-(aminomethyl)cyclohexane-1-carboxylate
CID 115436637
2-cyclopropylethyl 1-aminocyclopentane-1-carboxylate
CID 106202522
(3-methoxy-3-methylbutyl) 1-(aminomethyl)cycloheptane-1-carboxylate
CID 106666128
oxan-4-ylmethyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 113309279
methyl 1-(aminomethyl)cyclobutane-1-carboxylate;hydrochloride
CID 43811188
1-(aminomethyl)-N-(2-cyclopentylethyl)-N-methylcyclobutane-1-carboxamide
CID 115183587
octyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 113309277
propyl 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 115442863
hexyl 1-(aminomethyl)cyclopentane-1-carboxylate
CID 115433864

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate?
The IUPAC name of 2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate (CID 106203040) is 2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate?
The canonical SMILES for 2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate is NCC1(C(=O)OCCC2CCC2)CCC1.
What is the InChIKey of 2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate?
The InChIKey is IOOHIJWGXGOUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c13-9-12(6-2-7-12)11(14)15-8-5-10-3-1-4-10/h10H,1-9,13H2.
What are the key properties of 2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate?
2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate has a molecular weight of 211.30 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl 1-(aminomethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 106203040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).