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

C10H19NO2 — CID 81161128

IUPACpropyl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCCCOC(=O)CC1(CN)CCC1
InChIInChI=1S/C10H19NO2/c1-2-6-13-9(12)7-10(8-11)4-3-5-10/h2-8,11H2,1H3
InChIKeyMNVVNIXAYWOAGR-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.46
Rot. Bonds5

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

propyl 2-[1-(aminomethyl)cyclobutyl]acetate (PubChem CID 81161128) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is propyl 2-[1-(aminomethyl)cyclobutyl]acetate.

Molecular Properties

Compound Namepropyl 2-[1-(aminomethyl)cyclobutyl]acetate
PubChem CID81161128
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namepropyl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCCCOC(=O)CC1(CN)CCC1
InChIInChI=1S/C10H19NO2/c1-2-6-13-9(12)7-10(8-11)4-3-5-10/h2-8,11H2,1H3
InChIKeyMNVVNIXAYWOAGR-UHFFFAOYSA-N
XLogP1.46
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethylbutyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81162022
propyl 2-(1-aminocyclobutyl)acetate
CID 79846380
2-methylpropyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161222
tert-butyl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161398
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
methyl 2-[1-(aminomethyl)-4,4-dimethylcycloheptyl]acetate
CID 66098922
1-methoxypropan-2-yl 2-[1-(aminomethyl)cyclobutyl]acetate
CID 81161403
2-[1-(2-butoxy-2-oxoethyl)cyclopentyl]acetic acid
CID 71030728
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
prop-2-enyl 2-[1-(aminomethyl)cyclohexyl]acetate;hydrochloride
CID 66743418

Frequently Asked Questions

What is the IUPAC name of propyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The IUPAC name of propyl 2-[1-(aminomethyl)cyclobutyl]acetate (CID 81161128) is propyl 2-[1-(aminomethyl)cyclobutyl]acetate.
What is the SMILES notation for propyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The canonical SMILES for propyl 2-[1-(aminomethyl)cyclobutyl]acetate is CCCOC(=O)CC1(CN)CCC1.
What is the InChIKey of propyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The InChIKey is MNVVNIXAYWOAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-2-6-13-9(12)7-10(8-11)4-3-5-10/h2-8,11H2,1H3.
What are the key properties of propyl 2-[1-(aminomethyl)cyclobutyl]acetate?
propyl 2-[1-(aminomethyl)cyclobutyl]acetate has a molecular weight of 185.27 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[1-(aminomethyl)cyclobutyl]acetate is sourced from PubChem (CID 81161128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).