(3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol

C6H13NO2 — CID 130757547

IUPAC(3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol
SMILESC[C@@H]1C(O)ON(C)[C@H]1C
InChIInChI=1S/C6H13NO2/c1-4-5(2)7(3)9-6(4)8/h4-6,8H,1-3H3/t4-,5-,6?/m0/s1
InChIKeyKKGLDGVPYMCCEZ-HVYQYDHPSA-N
MW131.17 g/mol
LogP0.21
Rot. Bonds

About (3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol

(3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol (PubChem CID 130757547) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol.

Molecular Properties

Compound Name(3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol
PubChem CID130757547
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol
SMILESC[C@@H]1C(O)ON(C)[C@H]1C
InChIInChI=1S/C6H13NO2/c1-4-5(2)7(3)9-6(4)8/h4-6,8H,1-3H3/t4-,5-,6?/m0/s1
InChIKeyKKGLDGVPYMCCEZ-HVYQYDHPSA-N
XLogP0.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol 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 (3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol?
The IUPAC name of (3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol (CID 130757547) is (3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol.
What is the SMILES notation for (3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol?
The canonical SMILES for (3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol is C[C@@H]1C(O)ON(C)[C@H]1C.
What is the InChIKey of (3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol?
The InChIKey is KKGLDGVPYMCCEZ-HVYQYDHPSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-5(2)7(3)9-6(4)8/h4-6,8H,1-3H3/t4-,5-,6?/m0/s1.
What are the key properties of (3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol?
(3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol has a molecular weight of 131.17 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-2,3,4-trimethyl-1,2-oxazolidin-5-ol is sourced from PubChem (CID 130757547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).