benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate

C17H23NO2 — CID 58062979

IUPACbenzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate
SMILESO=C(CC1CCC1N1CCCC1)OCc1ccccc1
InChIInChI=1S/C17H23NO2/c19-17(20-13-14-6-2-1-3-7-14)12-15-8-9-16(15)18-10-4-5-11-18/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyVDJMQYDGNOULMH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.99
Rot. Bonds5

About benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate

benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate (PubChem CID 58062979) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate.

Molecular Properties

Compound Namebenzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate
PubChem CID58062979
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namebenzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate
SMILESO=C(CC1CCC1N1CCCC1)OCc1ccccc1
InChIInChI=1S/C17H23NO2/c19-17(20-13-14-6-2-1-3-7-14)12-15-8-9-16(15)18-10-4-5-11-18/h1-3,6-7,15-16H,4-5,8-13H2
InChIKeyVDJMQYDGNOULMH-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-(2-oxo-2-phenylmethoxyethyl)cyclohexane-1-carboxylic acid
CID 158241245
benzyl N-[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
CID 11425456
benzyl 5-pyrrolidin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoxaline-1-carboxylate
CID 140713534
1-(1-benzylpyrrolidin-2-yl)-2-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]ethanone
CID 158479239
(1S,4R,5R)-7-oxo-4-(2-oxo-2-phenylmethoxyethyl)-2,6-diazabicyclo[3.2.0]heptane-2-carboxylic acid
CID 67769397
4-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174621370
6-(2-oxo-2-phenylmethoxyethyl)piperidine-3-carboxylic acid
CID 174647596
benzyl 2-(azetidin-1-yl)acetate
CID 140980014
benzyl 2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetate
CID 146279077
benzyl 2-(2-oxocyclobutyl)acetate
CID 58062904
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
benzyl 2-(4-oxocyclohexyl)acetate
CID 58069819

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate?
The IUPAC name of benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate (CID 58062979) is benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate.
What is the SMILES notation for benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate?
The canonical SMILES for benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate is O=C(CC1CCC1N1CCCC1)OCc1ccccc1.
What is the InChIKey of benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate?
The InChIKey is VDJMQYDGNOULMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c19-17(20-13-14-6-2-1-3-7-14)12-15-8-9-16(15)18-10-4-5-11-18/h1-3,6-7,15-16H,4-5,8-13H2.
What are the key properties of benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate?
benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate has a molecular weight of 273.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(2-pyrrolidin-1-ylcyclobutyl)acetate is sourced from PubChem (CID 58062979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).