benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate

C12H15NO4 — CID 140568444

IUPACbenzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate
SMILESO=C(N[C@@H](CO)[C@@H]1CO1)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c14-6-10(11-8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15)/t10-,11-/m0/s1
InChIKeyUCIPENBHVLLTTQ-QWRGUYRKSA-N
MW237.25 g/mol
LogP0.67
Rot. Bonds5

About benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate

benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate (PubChem CID 140568444) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate
PubChem CID140568444
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namebenzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate
SMILESO=C(N[C@@H](CO)[C@@H]1CO1)OCc1ccccc1
InChIInChI=1S/C12H15NO4/c14-6-10(11-8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15)/t10-,11-/m0/s1
InChIKeyUCIPENBHVLLTTQ-QWRGUYRKSA-N
XLogP0.67
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(1S)-5-hydroxy-1-[(2S)-oxiran-2-yl]pentyl]carbamate
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benzyl N-[2-hydroxy-1-(oxan-3-yl)ethyl]carbamate
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benzyl N-[1-(1,3-dioxan-2-yl)-3-hydroxypropan-2-yl]carbamate
CID 21242026
benzyl N-[2-phenyl-1-[3-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]oxiran-2-yl]ethyl]carbamate
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2-(oxolan-3-yl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309313
(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
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benzyl N-[1-(oxetan-3-yl)ethyl]carbamate
CID 144719196

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate (CID 140568444) is benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate is O=C(N[C@@H](CO)[C@@H]1CO1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate?
The InChIKey is UCIPENBHVLLTTQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H15NO4/c14-6-10(11-8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,13,15)/t10-,11-/m0/s1.
What are the key properties of benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate?
benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate has a molecular weight of 237.25 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-2-hydroxy-1-[(2R)-oxiran-2-yl]ethyl]carbamate is sourced from PubChem (CID 140568444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).