(2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine

C15H24NO3P — CID 11398376

IUPAC(2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine
SMILESCCOP(=O)(OCC)[C@@]1(C)NCC[C@H]1c1ccccc1
InChIInChI=1S/C15H24NO3P/c1-4-18-20(17,19-5-2)15(3)14(11-12-16-15)13-9-7-6-8-10-13/h6-10,14,16H,4-5,11-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyFREXLQACEKXTCO-LSDHHAIUSA-N
MW297.33 g/mol
LogP3.75
Rot. Bonds6

About (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine

(2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine (PubChem CID 11398376) has the molecular formula C15H24NO3P and a molecular weight of 297.33 g/mol. Its IUPAC name is (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name(2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine
PubChem CID11398376
Molecular FormulaC15H24NO3P
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC Name(2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine
SMILESCCOP(=O)(OCC)[C@@]1(C)NCC[C@H]1c1ccccc1
InChIInChI=1S/C15H24NO3P/c1-4-18-20(17,19-5-2)15(3)14(11-12-16-15)13-9-7-6-8-10-13/h6-10,14,16H,4-5,11-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyFREXLQACEKXTCO-LSDHHAIUSA-N
XLogP3.75
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-2,2-dimethyl-3-phenylpyrrolidine
CID 94411574
(2R,4R)-2-diethoxyphosphoryl-2-methyl-1-oxido-4-phenyl-3,4-dihydropyrrol-1-ium
CID 102351429
7,7-bis(diethoxyphosphoryl)-5-phenyl-1,2,3,5,6,8-hexahydropyrrolizine
CID 102336259
(2R,6R)-2-diethoxyphosphoryl-6-phenylpiperidine
CID 11335470
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
(2S)-2-diethoxyphosphoryl-2-(2-phenylethyl)pyrrolidine
CID 95162297
[diethoxyphosphoryl-(triphenyl-λ5-phosphanylidene)methyl]-phenyliodanium
CID 73055193
(2S,3S,8R)-8-diethoxyphosphoryl-2,3-diphenyl-1,4-dioxaspiro[4.4]nonane;(2S,3S,8S)-8-diethoxyphosphoryl-2,3-diphenyl-1,4-dioxaspiro[4.4]nonane
CID 159126661
5-benzyl-3-diethoxyphosphoryl-3-methyloxolan-2-one
CID 24766405
(3R,5S)-3-diethoxyphosphoryl-2-methyl-5-phenyl-1,2-oxazolidine
CID 102384469
2-diethoxyphosphoryl-1-phenylpyrrolidine
CID 134967267
4-(2-diethoxyphosphorylphenyl)piperidine
CID 23018720

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine?
The IUPAC name of (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine (CID 11398376) is (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine.
What is the SMILES notation for (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine?
The canonical SMILES for (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine is CCOP(=O)(OCC)[C@@]1(C)NCC[C@H]1c1ccccc1.
What is the InChIKey of (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine?
The InChIKey is FREXLQACEKXTCO-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H24NO3P/c1-4-18-20(17,19-5-2)15(3)14(11-12-16-15)13-9-7-6-8-10-13/h6-10,14,16H,4-5,11-12H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine?
(2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine has a molecular weight of 297.33 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-diethoxyphosphoryl-2-methyl-3-phenylpyrrolidine is sourced from PubChem (CID 11398376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).