tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate

C11H21NO2 — CID 81161398

IUPACtert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCC(C)(C)OC(=O)CC1(CN)CCC1
InChIInChI=1S/C11H21NO2/c1-10(2,3)14-9(13)7-11(8-12)5-4-6-11/h4-8,12H2,1-3H3
InChIKeyKKLUOORXYQRHJL-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.85
Rot. Bonds3

About tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate

tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate (PubChem CID 81161398) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
PubChem CID81161398
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCC(C)(C)OC(=O)CC1(CN)CCC1
InChIInChI=1S/C11H21NO2/c1-10(2,3)14-9(13)7-11(8-12)5-4-6-11/h4-8,12H2,1-3H3
InChIKeyKKLUOORXYQRHJL-UHFFFAOYSA-N
XLogP1.85
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethylbutyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81162022
tert-butyl 2-[1-[(propan-2-ylamino)methyl]cyclobutyl]acetate
CID 59833239
propyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161128
2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161222
methyl 2-[1-(aminomethyl)-4,4-dimethylcycloheptyl]acetate
CID 66098922
(2-methylcyclohexyl) 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161039
methyl 2-[1-(aminomethyl)-4-tert-butylcycloheptyl]acetate
CID 66096622
cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81162285
methyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetate
CID 66098304
1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one
CID 116599421
1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161403
tert-butyl 2-[1-[(2-sulfanylethylamino)methyl]cyclohexyl]acetate;2-[1-[(2-sulfanylethylamino)methyl]cyclohexyl]acetic acid
CID 159848608

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The IUPAC name of tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate (CID 81161398) is tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate.
What is the SMILES notation for tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The canonical SMILES for tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate is CC(C)(C)OC(=O)CC1(CN)CCC1.
What is the InChIKey of tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The InChIKey is KKLUOORXYQRHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-10(2,3)14-9(13)7-11(8-12)5-4-6-11/h4-8,12H2,1-3H3.
What are the key properties of tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate?
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate has a molecular weight of 199.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate is sourced from PubChem (CID 81161398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).