[(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate

C12H21NO3 — CID 54218239

IUPAC[(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate
SMILESCN(CC1CCCC1)C(=O)O[C@H]1CCOC1
InChIInChI=1S/C12H21NO3/c1-13(8-10-4-2-3-5-10)12(14)16-11-6-7-15-9-11/h10-11H,2-9H2,1H3/t11-/m0/s1
InChIKeyQARVQDREBPBBKN-NSHDSACASA-N
MW227.30 g/mol
LogP2.03
Rot. Bonds3

About [(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate

[(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate (PubChem CID 54218239) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate
PubChem CID54218239
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name[(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate
SMILESCN(CC1CCCC1)C(=O)O[C@H]1CCOC1
InChIInChI=1S/C12H21NO3/c1-13(8-10-4-2-3-5-10)12(14)16-11-6-7-15-9-11/h10-11H,2-9H2,1H3/t11-/m0/s1
InChIKeyQARVQDREBPBBKN-NSHDSACASA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate?
The IUPAC name of [(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate (CID 54218239) is [(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate.
What is the SMILES notation for [(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate?
The canonical SMILES for [(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate is CN(CC1CCCC1)C(=O)O[C@H]1CCOC1.
What is the InChIKey of [(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate?
The InChIKey is QARVQDREBPBBKN-NSHDSACASA-N. The full InChI is InChI=1S/C12H21NO3/c1-13(8-10-4-2-3-5-10)12(14)16-11-6-7-15-9-11/h10-11H,2-9H2,1H3/t11-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate?
[(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate has a molecular weight of 227.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] N-(cyclopentylmethyl)-N-methylcarbamate is sourced from PubChem (CID 54218239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).