benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate

C12H13NO4 — CID 697922

IUPACbenzyl N-[(3S)-5-oxooxolan-3-yl]carbamate
SMILESO=C1C[C@H](NC(=O)OCc2ccccc2)CO1
InChIInChI=1S/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1
InChIKeyBNIBNUOPVTZWRT-JTQLQIEISA-N
MW235.24 g/mol
LogP1.23
Rot. Bonds3

About benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate

benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate (PubChem CID 697922) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3S)-5-oxooxolan-3-yl]carbamate
PubChem CID697922
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Namebenzyl N-[(3S)-5-oxooxolan-3-yl]carbamate
SMILESO=C1C[C@H](NC(=O)OCc2ccccc2)CO1
InChIInChI=1S/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1
InChIKeyBNIBNUOPVTZWRT-JTQLQIEISA-N
XLogP1.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate?
The IUPAC name of benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate (CID 697922) is benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate is O=C1C[C@H](NC(=O)OCc2ccccc2)CO1.
What is the InChIKey of benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate?
The InChIKey is BNIBNUOPVTZWRT-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1.
What are the key properties of benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate?
benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate has a molecular weight of 235.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate is sourced from PubChem (CID 697922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).