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

C13H16NO4P — CID 11242984

IUPACtert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)O[P@]1c1ccccc1
InChIInChI=1S/C13H16NO4P/c1-13(2,3)17-12(16)14-9-11(15)18-19(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/t19-/m1/s1
InChIKeyJDPINMFFXAFRAO-LJQANCHMSA-N
MW281.25 g/mol
LogP2.42
Rot. Bonds1

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

tert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate (PubChem CID 11242984) has the molecular formula C13H16NO4P and a molecular weight of 281.25 g/mol. Its IUPAC name is tert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate
PubChem CID11242984
Molecular FormulaC13H16NO4P
Molecular Weight281.25 g/mol
Exact Mass281.08
IUPAC Nametert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=O)O[P@]1c1ccccc1
InChIInChI=1S/C13H16NO4P/c1-13(2,3)17-12(16)14-9-11(15)18-19(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/t19-/m1/s1
InChIKeyJDPINMFFXAFRAO-LJQANCHMSA-N
XLogP2.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.42
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,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)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate?
The IUPAC name of tert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate (CID 11242984) is tert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate.
What is the SMILES notation for tert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate?
The canonical SMILES for tert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate is CC(C)(C)OC(=O)N1CC(=O)O[P@]1c1ccccc1.
What is the InChIKey of tert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate?
The InChIKey is JDPINMFFXAFRAO-LJQANCHMSA-N. The full InChI is InChI=1S/C13H16NO4P/c1-13(2,3)17-12(16)14-9-11(15)18-19(14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3/t19-/m1/s1.
What are the key properties of tert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate?
tert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate has a molecular weight of 281.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-5-oxo-2-phenyl-1,3,2-oxazaphospholidine-3-carboxylate is sourced from PubChem (CID 11242984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).