[(3S)-pyrrolidin-3-yl] N-ethylcarbamate

C7H14N2O2 — CID 66744415

IUPAC[(3S)-pyrrolidin-3-yl] N-ethylcarbamate
SMILESCCNC(=O)O[C@H]1CCNC1
InChIInChI=1S/C7H14N2O2/c1-2-9-7(10)11-6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyORHYBZFFWDLUQY-LURJTMIESA-N
MW158.20 g/mol
LogP0.09
Rot. Bonds2

About [(3S)-pyrrolidin-3-yl] N-ethylcarbamate

[(3S)-pyrrolidin-3-yl] N-ethylcarbamate (PubChem CID 66744415) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is [(3S)-pyrrolidin-3-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[(3S)-pyrrolidin-3-yl] N-ethylcarbamate
PubChem CID66744415
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name[(3S)-pyrrolidin-3-yl] N-ethylcarbamate
SMILESCCNC(=O)O[C@H]1CCNC1
InChIInChI=1S/C7H14N2O2/c1-2-9-7(10)11-6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyORHYBZFFWDLUQY-LURJTMIESA-N
XLogP0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-pyrrolidin-3-yl] N-ethylcarbamate?
The IUPAC name of [(3S)-pyrrolidin-3-yl] N-ethylcarbamate (CID 66744415) is [(3S)-pyrrolidin-3-yl] N-ethylcarbamate.
What is the SMILES notation for [(3S)-pyrrolidin-3-yl] N-ethylcarbamate?
The canonical SMILES for [(3S)-pyrrolidin-3-yl] N-ethylcarbamate is CCNC(=O)O[C@H]1CCNC1.
What is the InChIKey of [(3S)-pyrrolidin-3-yl] N-ethylcarbamate?
The InChIKey is ORHYBZFFWDLUQY-LURJTMIESA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-9-7(10)11-6-3-4-8-5-6/h6,8H,2-5H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of [(3S)-pyrrolidin-3-yl] N-ethylcarbamate?
[(3S)-pyrrolidin-3-yl] N-ethylcarbamate has a molecular weight of 158.20 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-pyrrolidin-3-yl] N-ethylcarbamate is sourced from PubChem (CID 66744415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).