benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate

C24H21NO4 — CID 981233

IUPACbenzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2/t22-,23+/m1/s1
InChIKeyHECRUWTZAMPQOS-PKTZIBPZSA-N
MW387.44 g/mol
LogP4.66
Rot. Bonds4

About benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate

benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate (PubChem CID 981233) has the molecular formula C24H21NO4 and a molecular weight of 387.44 g/mol. Its IUPAC name is benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
PubChem CID981233
Molecular FormulaC24H21NO4
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Namebenzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate
SMILESO=C1CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1
InChIInChI=1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2/t22-,23+/m1/s1
InChIKeyHECRUWTZAMPQOS-PKTZIBPZSA-N
XLogP4.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate?
The IUPAC name of benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate (CID 981233) is benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate.
What is the SMILES notation for benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate?
The canonical SMILES for benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate is O=C1CN(C(=O)OCc2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)O1.
What is the InChIKey of benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate?
The InChIKey is HECRUWTZAMPQOS-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H21NO4/c26-21-16-25(24(27)28-17-18-10-4-1-5-11-18)22(19-12-6-2-7-13-19)23(29-21)20-14-8-3-9-15-20/h1-15,22-23H,16-17H2/t22-,23+/m1/s1.
What are the key properties of benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate?
benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate has a molecular weight of 387.44 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S,3R)-6-oxo-2,3-diphenylmorpholine-4-carboxylate is sourced from PubChem (CID 981233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).