3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one

C15H22NO6P — CID 75983023

IUPAC3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one
SMILESCCOP(=O)(OCC)C1CC(O)N(OCc2ccccc2)C1=O
InChIInChI=1S/C15H22NO6P/c1-3-21-23(19,22-4-2)13-10-14(17)16(15(13)18)20-11-12-8-6-5-7-9-12/h5-9,13-14,17H,3-4,10-11H2,1-2H3
InChIKeyHUVAKZXWHQIPDD-UHFFFAOYSA-N
MW343.32 g/mol
LogP2.30
Rot. Bonds8

About 3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one

3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one (PubChem CID 75983023) has the molecular formula C15H22NO6P and a molecular weight of 343.32 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one.

Molecular Properties

Compound Name3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one
PubChem CID75983023
Molecular FormulaC15H22NO6P
Molecular Weight343.32 g/mol
Exact Mass343.12
IUPAC Name3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one
SMILESCCOP(=O)(OCC)C1CC(O)N(OCc2ccccc2)C1=O
InChIInChI=1S/C15H22NO6P/c1-3-21-23(19,22-4-2)13-10-14(17)16(15(13)18)20-11-12-8-6-5-7-9-12/h5-9,13-14,17H,3-4,10-11H2,1-2H3
InChIKeyHUVAKZXWHQIPDD-UHFFFAOYSA-N
XLogP2.30
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid
CID 122515574
(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
CID 10104396
(3R,4R)-3-amino-4-ethyl-1-phenylmethoxypyrrolidin-2-one
CID 131201426
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
(1R,2S,3R,4R,5S,6S)-3-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxy-2,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 122389774
(3R)-1-benzyl-3-diethoxyphosphoryl-4-phenylazetidin-2-one
CID 101371767
[(1R,2R)-2-diethoxyphosphorylcyclopropyl]benzene
CID 13128707
2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine
CID 15180764
(5S)-5-diethoxyphosphoryl-3-(phenylmethoxymethyl)-4,5-dihydro-1,2-oxazole
CID 132581718
1-benzyl-2-diethoxyphosphorylpyrrolidine
CID 12765070
(4R)-1-butyl-4-methyl-3-phenylmethoxyimidazolidin-2-one
CID 134374848
benzyl ethyl methyl phosphate
CID 152677778

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one?
The IUPAC name of 3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one (CID 75983023) is 3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one.
What is the SMILES notation for 3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one?
The canonical SMILES for 3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one is CCOP(=O)(OCC)C1CC(O)N(OCc2ccccc2)C1=O.
What is the InChIKey of 3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one?
The InChIKey is HUVAKZXWHQIPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22NO6P/c1-3-21-23(19,22-4-2)13-10-14(17)16(15(13)18)20-11-12-8-6-5-7-9-12/h5-9,13-14,17H,3-4,10-11H2,1-2H3.
What are the key properties of 3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one?
3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one has a molecular weight of 343.32 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one is sourced from PubChem (CID 75983023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).