[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate

C9H13NO7 — CID 54749012

IUPAC[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1=C(O)[C@@H]([C@@H](O)CO)OC1=O
InChIInChI=1S/C9H13NO7/c1-2-10-9(15)17-7-5(13)6(4(12)3-11)16-8(7)14/h4,6,11-13H,2-3H2,1H3,(H,10,15)/t4-,6+/m0/s1
InChIKeyYXQDLRPLNOARID-UJURSFKZSA-N
MW247.20 g/mol
LogP-1.22
Rot. Bonds4

About [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate

[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate (PubChem CID 54749012) has the molecular formula C9H13NO7 and a molecular weight of 247.20 g/mol. Its IUPAC name is [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate.

Molecular Properties

Compound Name[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate
PubChem CID54749012
Molecular FormulaC9H13NO7
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Name[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate
SMILESCCNC(=O)OC1=C(O)[C@@H]([C@@H](O)CO)OC1=O
InChIInChI=1S/C9H13NO7/c1-2-10-9(15)17-7-5(13)6(4(12)3-11)16-8(7)14/h4,6,11-13H,2-3H2,1H3,(H,10,15)/t4-,6+/m0/s1
InChIKeyYXQDLRPLNOARID-UJURSFKZSA-N
XLogP-1.22
TPSA125.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate?
The IUPAC name of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate (CID 54749012) is [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate.
What is the SMILES notation for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate?
The canonical SMILES for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate is CCNC(=O)OC1=C(O)[C@@H]([C@@H](O)CO)OC1=O.
What is the InChIKey of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate?
The InChIKey is YXQDLRPLNOARID-UJURSFKZSA-N. The full InChI is InChI=1S/C9H13NO7/c1-2-10-9(15)17-7-5(13)6(4(12)3-11)16-8(7)14/h4,6,11-13H,2-3H2,1H3,(H,10,15)/t4-,6+/m0/s1.
What are the key properties of [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate?
[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate has a molecular weight of 247.20 g/mol, XLogP of -1.22, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] N-ethylcarbamate is sourced from PubChem (CID 54749012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).