(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid

C18H17NO4 — CID 164663630

IUPAC(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1OCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO4/c20-15-12-23-17(18(21)22)16(14-9-5-2-6-10-14)19(15)11-13-7-3-1-4-8-13/h1-10,16-17H,11-12H2,(H,21,22)/t16-,17+/m0/s1
InChIKeyRHYHJPFIKWMTFP-DLBZAZTESA-N
MW311.34 g/mol
LogP2.24
Rot. Bonds4

About (2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid

(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid (PubChem CID 164663630) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid
PubChem CID164663630
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid
SMILESO=C(O)[C@@H]1OCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C18H17NO4/c20-15-12-23-17(18(21)22)16(14-9-5-2-6-10-14)19(15)11-13-7-3-1-4-8-13/h1-10,16-17H,11-12H2,(H,21,22)/t16-,17+/m0/s1
InChIKeyRHYHJPFIKWMTFP-DLBZAZTESA-N
XLogP2.24
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-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,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid?
The IUPAC name of (2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid (CID 164663630) is (2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid is O=C(O)[C@@H]1OCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid?
The InChIKey is RHYHJPFIKWMTFP-DLBZAZTESA-N. The full InChI is InChI=1S/C18H17NO4/c20-15-12-23-17(18(21)22)16(14-9-5-2-6-10-14)19(15)11-13-7-3-1-4-8-13/h1-10,16-17H,11-12H2,(H,21,22)/t16-,17+/m0/s1.
What are the key properties of (2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid?
(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid is sourced from PubChem (CID 164663630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).