[2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate

C11H15NO8 — CID 145497911

IUPAC[2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate
SMILESCC(=O)C(C)NC(=O)OC1=C(O)C(C(O)CO)OC1=O
InChIInChI=1S/C11H15NO8/c1-4(5(2)14)12-11(18)20-9-7(16)8(6(15)3-13)19-10(9)17/h4,6,8,13,15-16H,3H2,1-2H3,(H,12,18)
InChIKeySPSRTMGJSMJRGF-UHFFFAOYSA-N
MW289.24 g/mol
LogP-1.26
Rot. Bonds5

About [2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate

[2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate (PubChem CID 145497911) has the molecular formula C11H15NO8 and a molecular weight of 289.24 g/mol. Its IUPAC name is [2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate.

Molecular Properties

Compound Name[2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate
PubChem CID145497911
Molecular FormulaC11H15NO8
Molecular Weight289.24 g/mol
Exact Mass289.08
IUPAC Name[2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate
SMILESCC(=O)C(C)NC(=O)OC1=C(O)C(C(O)CO)OC1=O
InChIInChI=1S/C11H15NO8/c1-4(5(2)14)12-11(18)20-9-7(16)8(6(15)3-13)19-10(9)17/h4,6,8,13,15-16H,3H2,1-2H3,(H,12,18)
InChIKeySPSRTMGJSMJRGF-UHFFFAOYSA-N
XLogP-1.26
TPSA142.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate?
The IUPAC name of [2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate (CID 145497911) is [2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate.
What is the SMILES notation for [2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate?
The canonical SMILES for [2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate is CC(=O)C(C)NC(=O)OC1=C(O)C(C(O)CO)OC1=O.
What is the InChIKey of [2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate?
The InChIKey is SPSRTMGJSMJRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO8/c1-4(5(2)14)12-11(18)20-9-7(16)8(6(15)3-13)19-10(9)17/h4,6,8,13,15-16H,3H2,1-2H3,(H,12,18).
What are the key properties of [2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate?
[2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate has a molecular weight of 289.24 g/mol, XLogP of -1.26, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2-dihydroxyethyl)-3-hydroxy-5-oxo-2H-furan-4-yl] N-(3-oxobutan-2-yl)carbamate is sourced from PubChem (CID 145497911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).