tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate

C16H22NO4P — CID 11359186

IUPACtert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate
SMILESCC(C)[C@H]1C(=O)O[P@](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H22NO4P/c1-11(2)13-14(18)21-22(12-9-7-6-8-10-12)17(13)15(19)20-16(3,4)5/h6-11,13H,1-5H3/t13-,22+/m0/s1
InChIKeyOEEJBTKTJRDHID-WHEQGISXSA-N
MW323.33 g/mol
LogP3.44
Rot. Bonds2

About tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate

tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate (PubChem CID 11359186) has the molecular formula C16H22NO4P and a molecular weight of 323.33 g/mol. Its IUPAC name is tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate
PubChem CID11359186
Molecular FormulaC16H22NO4P
Molecular Weight323.33 g/mol
Exact Mass323.13
IUPAC Nametert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate
SMILESCC(C)[C@H]1C(=O)O[P@](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H22NO4P/c1-11(2)13-14(18)21-22(12-9-7-6-8-10-12)17(13)15(19)20-16(3,4)5/h6-11,13H,1-5H3/t13-,22+/m0/s1
InChIKeyOEEJBTKTJRDHID-WHEQGISXSA-N
XLogP3.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(4S)-5,5-dimethyl-3-[methyl(phenyl)phosphoryl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 56934436
tert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate
CID 11242984
tert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate
CID 11358366
Tert-butyl 5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate
CID 72766179
tert-butyl (4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate
CID 177524653
tert-butyl (4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate
CID 177583722

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate (CID 11359186) is tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate is CC(C)[C@H]1C(=O)O[P@](c2ccccc2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate?
The InChIKey is OEEJBTKTJRDHID-WHEQGISXSA-N. The full InChI is InChI=1S/C16H22NO4P/c1-11(2)13-14(18)21-22(12-9-7-6-8-10-12)17(13)15(19)20-16(3,4)5/h6-11,13H,1-5H3/t13-,22+/m0/s1.
What are the key properties of tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate?
tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate has a molecular weight of 323.33 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate is sourced from PubChem (CID 11359186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).