(5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid

C12H16NO6P — CID 122515574

IUPAC(5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid
SMILESCC1(P(=O)(O)O)CC(O)N(OCc2ccccc2)C1=O
InChIInChI=1S/C12H16NO6P/c1-12(20(16,17)18)7-10(14)13(11(12)15)19-8-9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H2,16,17,18)
InChIKeyUPIHWNRFVCHVOB-UHFFFAOYSA-N
MW301.23 g/mol
LogP0.61
Rot. Bonds4

About (5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid

(5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid (PubChem CID 122515574) has the molecular formula C12H16NO6P and a molecular weight of 301.23 g/mol. Its IUPAC name is (5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid.

Molecular Properties

Compound Name(5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid
PubChem CID122515574
Molecular FormulaC12H16NO6P
Molecular Weight301.23 g/mol
Exact Mass301.07
IUPAC Name(5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid
SMILESCC1(P(=O)(O)O)CC(O)N(OCc2ccccc2)C1=O
InChIInChI=1S/C12H16NO6P/c1-12(20(16,17)18)7-10(14)13(11(12)15)19-8-9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H2,16,17,18)
InChIKeyUPIHWNRFVCHVOB-UHFFFAOYSA-N
XLogP0.61
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-diethoxyphosphoryl-5-hydroxy-1-phenylmethoxypyrrolidin-2-one
CID 75983023
(4R)-4-methyl-1-phenylmethoxyazetidin-2-one
CID 16752815
(3S,4R)-3,4-dimethyl-1-phenylmethoxyazetidin-2-one
CID 10104396
(2S)-2-[(4R)-4-methyl-2-oxo-3-phenylmethoxyimidazolidin-1-yl]propanoic acid
CID 89169658
5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one
CID 22592553
methyl 6-oxo-1-phenylmethoxy-5-(trifluoromethyl)-2,3-dihydropyridine-2-carboxylate
CID 101459110
5,5-dimethyl-2-(2-phenylethenyl)-3-phenylmethoxy-1,3-oxazolidin-4-one
CID 141466755
N-(2,2,6,6-tetramethyl-1-phenylmethoxypiperidin-4-yl)acetamide
CID 102049531
5-bromo-1-phenylmethoxypyrrolidin-2-one
CID 22495511
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
propan-2-yl (2S)-4-oxo-1-phenylmethoxyazetidine-2-carboxylate
CID 14988500
(3R)-2,2-dimethyl-3-phenylmethoxycyclobutan-1-one
CID 97041960

Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid?
The IUPAC name of (5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid (CID 122515574) is (5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid.
What is the SMILES notation for (5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid?
The canonical SMILES for (5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid is CC1(P(=O)(O)O)CC(O)N(OCc2ccccc2)C1=O.
What is the InChIKey of (5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid?
The InChIKey is UPIHWNRFVCHVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16NO6P/c1-12(20(16,17)18)7-10(14)13(11(12)15)19-8-9-5-3-2-4-6-9/h2-6,10,14H,7-8H2,1H3,(H2,16,17,18).
What are the key properties of (5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid?
(5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid has a molecular weight of 301.23 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-3-methyl-2-oxo-1-phenylmethoxypyrrolidin-3-yl)phosphonic acid is sourced from PubChem (CID 122515574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).