benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate

C13H15NO4 — CID 10171460

IUPACbenzyl N-[(5-oxooxolan-2-yl)methyl]carbamate
SMILESO=C1CCC(CNC(=O)OCc2ccccc2)O1
InChIInChI=1S/C13H15NO4/c15-12-7-6-11(18-12)8-14-13(16)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16)
InChIKeyUHBIPCROJVOHKQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.62
Rot. Bonds4

About benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate

benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate (PubChem CID 10171460) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(5-oxooxolan-2-yl)methyl]carbamate
PubChem CID10171460
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namebenzyl N-[(5-oxooxolan-2-yl)methyl]carbamate
SMILESO=C1CCC(CNC(=O)OCc2ccccc2)O1
InChIInChI=1S/C13H15NO4/c15-12-7-6-11(18-12)8-14-13(16)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16)
InChIKeyUHBIPCROJVOHKQ-UHFFFAOYSA-N
XLogP1.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate
CID 697922
6-(((Phenylmethoxy)carbonyl)amino)hexanoic acid
CID 74758
5-Phenyl-1,3-oxazolidin-2-one
CID 202193
benzyl N-(2-oxooxolan-3-yl)carbamate
CID 301122
5-[(Benzyloxy)methyl]-1,3-oxazolidin-2-one
CID 2771944
Carbobenzyloxyglycylglycyl-L-proline benzyl ester
CID 297813
benzyl L-prolinate hydrochloride
CID 3084256
(5S)-5-phenyl-1,3-oxazolidin-2-one
CID 10855806
Benzyl 5-oxopyrrolidine-2-carboxylate
CID 108474
(S)-Benzyl (2-oxotetrahydrofuran-3-yl)carbamate
CID 489185
benzyl N-(2,5-dioxooxolan-3-yl)carbamate
CID 107296
5-(Carbobenzoxyamino)valeric acid
CID 3690024

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate?
The IUPAC name of benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate (CID 10171460) is benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate?
The canonical SMILES for benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate is O=C1CCC(CNC(=O)OCc2ccccc2)O1.
What is the InChIKey of benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate?
The InChIKey is UHBIPCROJVOHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-12-7-6-11(18-12)8-14-13(16)17-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,14,16).
What are the key properties of benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate?
benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate has a molecular weight of 249.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(5-oxooxolan-2-yl)methyl]carbamate is sourced from PubChem (CID 10171460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).