3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one

C8H15NO3 — CID 104550478

IUPAC3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](CO)N1CCOC1=O
InChIInChI=1S/C8H15NO3/c1-6(2)7(5-10)9-3-4-12-8(9)11/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyOGRBPRMUBIMDLT-ZETCQYMHSA-N
MW173.21 g/mol
LogP0.46
Rot. Bonds3

About 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one

3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one (PubChem CID 104550478) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one
PubChem CID104550478
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](CO)N1CCOC1=O
InChIInChI=1S/C8H15NO3/c1-6(2)7(5-10)9-3-4-12-8(9)11/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1
InChIKeyOGRBPRMUBIMDLT-ZETCQYMHSA-N
XLogP0.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopropyl-3-methylbutan-2-yl)-1,3-oxazolidin-2-one
CID 171732798
3-(1-cyclopentyl-2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 130909539
3-(1-fluoropropyl)-1,3-oxazolidin-2-one
CID 138733898
3-amino-1-(1-hydroxy-3-methylbutan-2-yl)pyrrolidin-2-one
CID 79267295
3-(1-amino-4-methylpentan-2-yl)-1,3-oxazolidin-2-one
CID 63762139
3-bromo-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one
CID 79266958
3-amino-1-[(2R)-1-hydroxy-3-methylbutan-2-yl]piperidin-2-one
CID 79267922
3-(1-oxo-1-piperazin-1-ylpropan-2-yl)-1,3-oxazolidin-2-one
CID 82509950
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
3-[(2R)-2-aminopropyl]-1,3-oxazolidin-2-one
CID 28794902
3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 71425573

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one (CID 104550478) is 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one is CC(C)[C@H](CO)N1CCOC1=O.
What is the InChIKey of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is OGRBPRMUBIMDLT-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6(2)7(5-10)9-3-4-12-8(9)11/h6-7,10H,3-5H2,1-2H3/t7-/m0/s1.
What are the key properties of 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one?
3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 173.21 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 104550478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).