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

C16H21NO4 — CID 10851122

IUPAC(2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)(C)[C@H]1OC[C@@H](C(=O)O)N1C(=O)Cc1ccccc1
InChIInChI=1S/C16H21NO4/c1-16(2,3)15-17(12(10-21-15)14(19)20)13(18)9-11-7-5-4-6-8-11/h4-8,12,15H,9-10H2,1-3H3,(H,19,20)/t12-,15+/m0/s1
InChIKeyHXVJJPLYFUYJHS-SWLSCSKDSA-N
MW291.35 g/mol
LogP1.91
Rot. Bonds3

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

(2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid (PubChem CID 10851122) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid
PubChem CID10851122
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name(2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid
SMILESCC(C)(C)[C@H]1OC[C@@H](C(=O)O)N1C(=O)Cc1ccccc1
InChIInChI=1S/C16H21NO4/c1-16(2,3)15-17(12(10-21-15)14(19)20)13(18)9-11-7-5-4-6-8-11/h4-8,12,15H,9-10H2,1-3H3,(H,19,20)/t12-,15+/m0/s1
InChIKeyHXVJJPLYFUYJHS-SWLSCSKDSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-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-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of (2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid (CID 10851122) is (2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid is CC(C)(C)[C@H]1OC[C@@H](C(=O)O)N1C(=O)Cc1ccccc1.
What is the InChIKey of (2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is HXVJJPLYFUYJHS-SWLSCSKDSA-N. The full InChI is InChI=1S/C16H21NO4/c1-16(2,3)15-17(12(10-21-15)14(19)20)13(18)9-11-7-5-4-6-8-11/h4-8,12,15H,9-10H2,1-3H3,(H,19,20)/t12-,15+/m0/s1.
What are the key properties of (2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid?
(2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-tert-butyl-3-(2-phenylacetyl)-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 10851122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).