benzyl N-(1-acetylazetidin-3-yl)carbamate

C13H16N2O3 — CID 118370546

IUPACbenzyl N-(1-acetylazetidin-3-yl)carbamate
SMILESCC(=O)N1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H16N2O3/c1-10(16)15-7-12(8-15)14-13(17)18-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,14,17)
InChIKeyMYWFQIHYSBOBSH-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.14
Rot. Bonds3

About benzyl N-(1-acetylazetidin-3-yl)carbamate

benzyl N-(1-acetylazetidin-3-yl)carbamate (PubChem CID 118370546) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is benzyl N-(1-acetylazetidin-3-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(1-acetylazetidin-3-yl)carbamate
PubChem CID118370546
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namebenzyl N-(1-acetylazetidin-3-yl)carbamate
SMILESCC(=O)N1CC(NC(=O)OCc2ccccc2)C1
InChIInChI=1S/C13H16N2O3/c1-10(16)15-7-12(8-15)14-13(17)18-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,14,17)
InChIKeyMYWFQIHYSBOBSH-UHFFFAOYSA-N
XLogP1.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
methyl 2-(1-acetylazetidin-3-yl)-2-(phenylmethoxycarbonylamino)acetate
CID 90299544
[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl] 3-(phenylmethoxycarbonylamino)azetidine-1-carboxylate
CID 170765411
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl 5-(phenylmethoxycarbonylamino)-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 155145710
tert-butyl 5-(phenylmethoxycarbonylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 77410972
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-(1-cyclopropylsulfonylazetidin-3-yl)carbamate
CID 146024173
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate
CID 112545027

Frequently Asked Questions

What is the IUPAC name of benzyl N-(1-acetylazetidin-3-yl)carbamate?
The IUPAC name of benzyl N-(1-acetylazetidin-3-yl)carbamate (CID 118370546) is benzyl N-(1-acetylazetidin-3-yl)carbamate.
What is the SMILES notation for benzyl N-(1-acetylazetidin-3-yl)carbamate?
The canonical SMILES for benzyl N-(1-acetylazetidin-3-yl)carbamate is CC(=O)N1CC(NC(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl N-(1-acetylazetidin-3-yl)carbamate?
The InChIKey is MYWFQIHYSBOBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-10(16)15-7-12(8-15)14-13(17)18-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,14,17).
What are the key properties of benzyl N-(1-acetylazetidin-3-yl)carbamate?
benzyl N-(1-acetylazetidin-3-yl)carbamate has a molecular weight of 248.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(1-acetylazetidin-3-yl)carbamate is sourced from PubChem (CID 118370546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).