[(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate

C13H17NO3 — CID 68823431

IUPAC[(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)O[C@H]1CCCO1
InChIInChI=1S/C13H17NO3/c1-14(10-11-6-3-2-4-7-11)13(15)17-12-8-5-9-16-12/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
InChIKeyCMMGMRYEZSKJBF-LBPRGKRZSA-N
MW235.28 g/mol
LogP2.39
Rot. Bonds3

About [(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate

[(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate (PubChem CID 68823431) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate
PubChem CID68823431
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name[(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate
SMILESCN(Cc1ccccc1)C(=O)O[C@H]1CCCO1
InChIInChI=1S/C13H17NO3/c1-14(10-11-6-3-2-4-7-11)13(15)17-12-8-5-9-16-12/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1
InChIKeyCMMGMRYEZSKJBF-LBPRGKRZSA-N
XLogP2.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate?
The IUPAC name of [(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate (CID 68823431) is [(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate.
What is the SMILES notation for [(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate?
The canonical SMILES for [(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate is CN(Cc1ccccc1)C(=O)O[C@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate?
The InChIKey is CMMGMRYEZSKJBF-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO3/c1-14(10-11-6-3-2-4-7-11)13(15)17-12-8-5-9-16-12/h2-4,6-7,12H,5,8-10H2,1H3/t12-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate?
[(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate has a molecular weight of 235.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl] N-benzyl-N-methylcarbamate is sourced from PubChem (CID 68823431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).