[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate

C12H14N2O3 — CID 174732822

IUPAC[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)O[C@H]1CCNC1=O
InChIInChI=1S/C12H14N2O3/c15-11-10(6-7-13-11)17-12(16)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)(H,14,16)/t10-/m0/s1
InChIKeyYETRHGOWRDJJGM-JTQLQIEISA-N
MW234.25 g/mol
LogP0.80
Rot. Bonds3

About [(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate

[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate (PubChem CID 174732822) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is [(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate.

Molecular Properties

Compound Name[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
PubChem CID174732822
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate
SMILESO=C(NCc1ccccc1)O[C@H]1CCNC1=O
InChIInChI=1S/C12H14N2O3/c15-11-10(6-7-13-11)17-12(16)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)(H,14,16)/t10-/m0/s1
InChIKeyYETRHGOWRDJJGM-JTQLQIEISA-N
XLogP0.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 41385144
(2-hydroxycyclohexyl) N-benzylcarbamate
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(2-aminocyclohexyl) N-benzylcarbamate
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[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-benzylcarbamate
CID 144638928
benzyl N-[(2-oxopyrrolidin-3-yl)amino]carbamate
CID 174500033
(2S)-3-amino-N-benzyl-2-hydroxy-4-[(3S)-2-oxopyrrolidin-3-yl]butanamide
CID 162695553
[(3S,4S)-3-(hydroxymethyl)oxan-4-yl] N-benzylcarbamate
CID 70818689
[(1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentyl] N-benzylcarbamate
CID 66880105
[(3S,4S)-4-hydroxypyrrolidin-3-yl]methyl N-benzylcarbamate
CID 91035324
[2-(methylamino)cyclohexyl] N-benzylcarbamate
CID 107654729
(2,2-difluorospiro[2.5]octan-6-yl) N-benzylcarbamate
CID 177145440
1-oxa-8-azaspiro[4.5]decan-3-yl N-benzylcarbamate
CID 107654733

Frequently Asked Questions

What is the IUPAC name of [(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate?
The IUPAC name of [(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate (CID 174732822) is [(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate.
What is the SMILES notation for [(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate?
The canonical SMILES for [(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate is O=C(NCc1ccccc1)O[C@H]1CCNC1=O.
What is the InChIKey of [(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate?
The InChIKey is YETRHGOWRDJJGM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11-10(6-7-13-11)17-12(16)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)(H,14,16)/t10-/m0/s1.
What are the key properties of [(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate?
[(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate has a molecular weight of 234.25 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-2-oxopyrrolidin-3-yl] N-benzylcarbamate is sourced from PubChem (CID 174732822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).