2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate

C11H21NO2 — CID 81161222

IUPAC2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCC(C)COC(=O)CC1(CN)CCC1
InChIInChI=1S/C11H21NO2/c1-9(2)7-14-10(13)6-11(8-12)4-3-5-11/h9H,3-8,12H2,1-2H3
InChIKeyUKMOUMHFVYMGSV-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.70
Rot. Bonds5

About 2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate

2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate (PubChem CID 81161222) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate
PubChem CID81161222
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCC(C)COC(=O)CC1(CN)CCC1
InChIInChI=1S/C11H21NO2/c1-9(2)7-14-10(13)6-11(8-12)4-3-5-11/h9H,3-8,12H2,1-2H3
InChIKeyUKMOUMHFVYMGSV-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161403
propyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161128
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
3,3-dimethylbutyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81162022
[1-(2-methylpropoxymethyl)cyclobutyl]methanamine
CID 97033932
methyl 2-[1-(aminomethyl)-4,4-dimethylcycloheptyl]acetate
CID 66098922
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
cyclobutyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81162285
2-methylpropyl N-[[1-(aminomethyl)cyclopropyl]methyl]carbamate
CID 115456912
methyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]acetate
CID 66098304
[1-[2-(2-methylpropoxy)ethyl]cyclobutyl]methanamine
CID 106456984
1-[1-(aminomethyl)cyclobutyl]-3-methoxypropan-2-one
CID 116599421

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The IUPAC name of 2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate (CID 81161222) is 2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate.
What is the SMILES notation for 2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The canonical SMILES for 2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate is CC(C)COC(=O)CC1(CN)CCC1.
What is the InChIKey of 2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The InChIKey is UKMOUMHFVYMGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)7-14-10(13)6-11(8-12)4-3-5-11/h9H,3-8,12H2,1-2H3.
What are the key properties of 2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate?
2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate has a molecular weight of 199.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate is sourced from PubChem (CID 81161222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).