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

C14H18NO4P — CID 11358366

IUPACtert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate
SMILESC[C@H]1C(=O)O[P@](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H18NO4P/c1-10-12(16)19-20(11-8-6-5-7-9-11)15(10)13(17)18-14(2,3)4/h5-10H,1-4H3/t10-,20+/m0/s1
InChIKeyGYAGOAFAWPIEII-WVDJIFEKSA-N
MW295.27 g/mol
LogP2.81
Rot. Bonds1

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

tert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate (PubChem CID 11358366) has the molecular formula C14H18NO4P and a molecular weight of 295.27 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate
PubChem CID11358366
Molecular FormulaC14H18NO4P
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Nametert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate
SMILESC[C@H]1C(=O)O[P@](c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H18NO4P/c1-10-12(16)19-20(11-8-6-5-7-9-11)15(10)13(17)18-14(2,3)4/h5-10H,1-4H3/t10-,20+/m0/s1
InChIKeyGYAGOAFAWPIEII-WVDJIFEKSA-N
XLogP2.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.81
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

tert-butyl (2R,4S)-5-oxo-2-phenyl-4-propan-2-yl-1,3,2-oxazaphospholidine-3-carboxylate
CID 11359186
tert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate
CID 11242984
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)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate (CID 11358366) is tert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate is C[C@H]1C(=O)O[P@](c2ccccc2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate?
The InChIKey is GYAGOAFAWPIEII-WVDJIFEKSA-N. The full InChI is InChI=1S/C14H18NO4P/c1-10-12(16)19-20(11-8-6-5-7-9-11)15(10)13(17)18-14(2,3)4/h5-10H,1-4H3/t10-,20+/m0/s1.
What are the key properties of tert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate?
tert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate has a molecular weight of 295.27 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-methyl-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate is sourced from PubChem (CID 11358366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).