tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate

C17H24NO6P — CID 72962244

IUPACtert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate
SMILESCOP(=O)(OC)C1C(=O)CC(c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H24NO6P/c1-17(2,3)24-16(20)18-13(12-9-7-6-8-10-12)11-14(19)15(18)25(21,22-4)23-5/h6-10,13,15H,11H2,1-5H3
InChIKeyGQOGMATZIVQEJD-UHFFFAOYSA-N
MW369.35 g/mol
LogP3.75
Rot. Bonds4

About tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate

tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate (PubChem CID 72962244) has the molecular formula C17H24NO6P and a molecular weight of 369.35 g/mol. Its IUPAC name is tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate
PubChem CID72962244
Molecular FormulaC17H24NO6P
Molecular Weight369.35 g/mol
Exact Mass369.13
IUPAC Nametert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate
SMILESCOP(=O)(OC)C1C(=O)CC(c2ccccc2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H24NO6P/c1-17(2,3)24-16(20)18-13(12-9-7-6-8-10-12)11-14(19)15(18)25(21,22-4)23-5/h6-10,13,15H,11H2,1-5H3
InChIKeyGQOGMATZIVQEJD-UHFFFAOYSA-N
XLogP3.75
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 5-tert-butyl-2-dimethoxyphosphoryl-3-oxopyrrolidine-1-carboxylate
CID 72766947
tert-butyl (4S)-2-oxo-4-phenylazetidine-1-carboxylate
CID 42598467
1-O-tert-butyl 2-O-methyl (2R,5S)-5-phenylpyrrolidine-1,2-dicarboxylate
CID 54216413
tert-butyl (2R,3R)-2,3-diphenylaziridine-1-carboxylate
CID 101106252
tert-butyl (2S)-2-phenylaziridine-1-carboxylate
CID 11769967
tert-butyl 2-[methoxy(methyl)carbamoyl]-5-phenylpyrrolidine-1-carboxylate
CID 87452303
tert-butyl 2-methyl-7-phenyl-2,3,6,7-tetrahydroazepine-1-carboxylate
CID 101399997
tert-butyl 3-oxo-5-phenylpyrazolidine-1-carboxylate
CID 102258450
tert-butyl (2S)-2-phenylpyrrolidine-1-carboxylate
CID 10999368
tert-butyl (1R,2R,4S,5S)-3-oxo-2,4-diphenyl-8-azabicyclo[3.2.1]oct-6-ene-8-carboxylate
CID 10785704
tert-butyl (2R,3aS,7aS)-2-dimethoxyphosphoryl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxylate
CID 53473107
tert-butyl (2S,4S)-2-(2-methylprop-1-enyl)-4-phenyl-1,3-oxazolidine-3-carboxylate
CID 15548409

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate (CID 72962244) is tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate is COP(=O)(OC)C1C(=O)CC(c2ccccc2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate?
The InChIKey is GQOGMATZIVQEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24NO6P/c1-17(2,3)24-16(20)18-13(12-9-7-6-8-10-12)11-14(19)15(18)25(21,22-4)23-5/h6-10,13,15H,11H2,1-5H3.
What are the key properties of tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate?
tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate has a molecular weight of 369.35 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-dimethoxyphosphoryl-3-oxo-5-phenylpyrrolidine-1-carboxylate is sourced from PubChem (CID 72962244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).