benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate

C13H13NO5 — CID 11402803

IUPACbenzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate
SMILESO=C(NC1=C[C@@H](CO)OC1=O)OCc1ccccc1
InChIInChI=1S/C13H13NO5/c15-7-10-6-11(12(16)19-10)14-13(17)18-8-9-4-2-1-3-5-9/h1-6,10,15H,7-8H2,(H,14,17)/t10-/m0/s1
InChIKeyIWOHOQVAPYRYGI-JTQLQIEISA-N
MW263.25 g/mol
LogP0.71
Rot. Bonds4

About benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate

benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate (PubChem CID 11402803) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate
PubChem CID11402803
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Namebenzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate
SMILESO=C(NC1=C[C@@H](CO)OC1=O)OCc1ccccc1
InChIInChI=1S/C13H13NO5/c15-7-10-6-11(12(16)19-10)14-13(17)18-8-9-4-2-1-3-5-9/h1-6,10,15H,7-8H2,(H,14,17)/t10-/m0/s1
InChIKeyIWOHOQVAPYRYGI-JTQLQIEISA-N
XLogP0.71
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate (CID 11402803) is benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate is O=C(NC1=C[C@@H](CO)OC1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate?
The InChIKey is IWOHOQVAPYRYGI-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13NO5/c15-7-10-6-11(12(16)19-10)14-13(17)18-8-9-4-2-1-3-5-9/h1-6,10,15H,7-8H2,(H,14,17)/t10-/m0/s1.
What are the key properties of benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate?
benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate has a molecular weight of 263.25 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-(hydroxymethyl)-5-oxo-2H-furan-4-yl]carbamate is sourced from PubChem (CID 11402803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).