2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate

C8H12NO5- — CID 1248186

IUPAC2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCC1(C)OC(=O)N(CC(=O)[O-])[C@]1(C)O
InChIInChI=1S/C8H13NO5/c1-7(2)8(3,13)9(4-5(10)11)6(12)14-7/h13H,4H2,1-3H3,(H,10,11)/p-1/t8-/m1/s1
InChIKeyLCOQHVMIPOQRHJ-MRVPVSSYSA-M
MW202.19 g/mol
LogP-1.32
Rot. Bonds2

About 2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate

2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate (PubChem CID 1248186) has the molecular formula C8H12NO5- and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Name2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate
PubChem CID1248186
Molecular FormulaC8H12NO5-
Molecular Weight202.19 g/mol
Exact Mass202.07
IUPAC Name2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCC1(C)OC(=O)N(CC(=O)[O-])[C@]1(C)O
InChIInChI=1S/C8H13NO5/c1-7(2)8(3,13)9(4-5(10)11)6(12)14-7/h13H,4H2,1-3H3,(H,10,11)/p-1/t8-/m1/s1
InChIKeyLCOQHVMIPOQRHJ-MRVPVSSYSA-M
XLogP-1.32
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate?
The IUPAC name of 2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate (CID 1248186) is 2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate.
What is the SMILES notation for 2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate?
The canonical SMILES for 2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate is CC1(C)OC(=O)N(CC(=O)[O-])[C@]1(C)O.
What is the InChIKey of 2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate?
The InChIKey is LCOQHVMIPOQRHJ-MRVPVSSYSA-M. The full InChI is InChI=1S/C8H13NO5/c1-7(2)8(3,13)9(4-5(10)11)6(12)14-7/h13H,4H2,1-3H3,(H,10,11)/p-1/t8-/m1/s1.
What are the key properties of 2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate?
2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate has a molecular weight of 202.19 g/mol, XLogP of -1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-hydroxy-4,5,5-trimethyl-2-oxo-1,3-oxazolidin-3-yl]acetate is sourced from PubChem (CID 1248186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).