2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate

C13H20NO5- — CID 1384032

IUPAC2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCC(C)=CCC[C@]1(C)OC(=O)N(CC(=O)[O-])[C@@]1(C)O
InChIInChI=1S/C13H21NO5/c1-9(2)6-5-7-12(3)13(4,18)14(8-10(15)16)11(17)19-12/h6,18H,5,7-8H2,1-4H3,(H,15,16)/p-1/t12-,13-/m0/s1
InChIKeyWZTJSOKLVHNBIT-STQMWFEESA-M
MW270.30 g/mol
LogP0.40
Rot. Bonds5

About 2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate

2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (PubChem CID 1384032) has the molecular formula C13H20NO5- and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Name2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
PubChem CID1384032
Molecular FormulaC13H20NO5-
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate
SMILESCC(C)=CCC[C@]1(C)OC(=O)N(CC(=O)[O-])[C@@]1(C)O
InChIInChI=1S/C13H21NO5/c1-9(2)6-5-7-12(3)13(4,18)14(8-10(15)16)11(17)19-12/h6,18H,5,7-8H2,1-4H3,(H,15,16)/p-1/t12-,13-/m0/s1
InChIKeyWZTJSOKLVHNBIT-STQMWFEESA-M
XLogP0.40
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-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-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The IUPAC name of 2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate (CID 1384032) is 2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate.
What is the SMILES notation for 2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The canonical SMILES for 2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is CC(C)=CCC[C@]1(C)OC(=O)N(CC(=O)[O-])[C@@]1(C)O.
What is the InChIKey of 2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
The InChIKey is WZTJSOKLVHNBIT-STQMWFEESA-M. The full InChI is InChI=1S/C13H21NO5/c1-9(2)6-5-7-12(3)13(4,18)14(8-10(15)16)11(17)19-12/h6,18H,5,7-8H2,1-4H3,(H,15,16)/p-1/t12-,13-/m0/s1.
What are the key properties of 2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate?
2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate has a molecular weight of 270.30 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S,5S)-4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]acetate is sourced from PubChem (CID 1384032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).