(2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid

C9H17NO3 — CID 154652135

IUPAC(2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)(C)[C@@H]1N[C@](C)(C(=O)O)CO1
InChIInChI=1S/C9H17NO3/c1-8(2,3)6-10-9(4,5-13-6)7(11)12/h6,10H,5H2,1-4H3,(H,11,12)/t6-,9+/m1/s1
InChIKeyAEJIFRRXCUMYKO-MUWHJKNJSA-N
MW187.24 g/mol
LogP0.82
Rot. Bonds1

About (2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid

(2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid (PubChem CID 154652135) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid
PubChem CID154652135
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)(C)[C@@H]1N[C@](C)(C(=O)O)CO1
InChIInChI=1S/C9H17NO3/c1-8(2,3)6-10-9(4,5-13-6)7(11)12/h6,10H,5H2,1-4H3,(H,11,12)/t6-,9+/m1/s1
InChIKeyAEJIFRRXCUMYKO-MUWHJKNJSA-N
XLogP0.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid 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 (2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid (CID 154652135) is (2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid is CC(C)(C)[C@@H]1N[C@](C)(C(=O)O)CO1.
What is the InChIKey of (2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is AEJIFRRXCUMYKO-MUWHJKNJSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(2,3)6-10-9(4,5-13-6)7(11)12/h6,10H,5H2,1-4H3,(H,11,12)/t6-,9+/m1/s1.
What are the key properties of (2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid?
(2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-tert-butyl-4-methyl-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 154652135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).