methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid

C8H14NO5P — CID 59102717

IUPACmethyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid
SMILESCC1CC(=O)N(CC(=O)CP(C)(=O)O)O1
InChIInChI=1S/C8H14NO5P/c1-6-3-8(11)9(14-6)4-7(10)5-15(2,12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyPADMUHVAXARKFC-UHFFFAOYSA-N
MW235.18 g/mol
LogP0.01
Rot. Bonds4

About methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid

methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid (PubChem CID 59102717) has the molecular formula C8H14NO5P and a molecular weight of 235.18 g/mol. Its IUPAC name is methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid.

Molecular Properties

Compound Namemethyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid
PubChem CID59102717
Molecular FormulaC8H14NO5P
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Namemethyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid
SMILESCC1CC(=O)N(CC(=O)CP(C)(=O)O)O1
InChIInChI=1S/C8H14NO5P/c1-6-3-8(11)9(14-6)4-7(10)5-15(2,12)13/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyPADMUHVAXARKFC-UHFFFAOYSA-N
XLogP0.01
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 50.01
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

2-(3-hydroxy-2-methylpropyl)-5-methyl-1,2-oxazolidin-3-one
CID 105435464
5-tert-butyl-2-(2-oxopropyl)-1,2-oxazolidin-3-one
CID 105452159
2-[4-(hydroxymethyl)phenyl]-5-methyl-1,2-oxazolidin-3-one
CID 105460103
methyl-[(4-methyl-3-oxo-1,2-oxazolidin-2-yl)methoxymethyl]phosphinic acid
CID 10130719
(5S)-3-methyl-4,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 70507843
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
2-(4-methyl-2,6-dioxopiperidin-1-yl)pentanedioic acid
CID 62933790
azanium hydroxy-[[(5R)-5-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]phosphinate
CID 139078118
1-[3-(4-fluorophenyl)-2-oxopropyl]-4-methylpiperidine-2,6-dione
CID 79507232
ethyl 4-[(3S)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 1048448
4-methyloxetan-2-one;prop-2-enoic acid
CID 174538914
1-hydroxy-3-(2-methylprop-2-enoyl)pyrrolidine-2,5-dione
CID 67329959

Frequently Asked Questions

What is the IUPAC name of methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid?
The IUPAC name of methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid (CID 59102717) is methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid.
What is the SMILES notation for methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid?
The canonical SMILES for methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid is CC1CC(=O)N(CC(=O)CP(C)(=O)O)O1.
What is the InChIKey of methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid?
The InChIKey is PADMUHVAXARKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO5P/c1-6-3-8(11)9(14-6)4-7(10)5-15(2,12)13/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid?
methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid has a molecular weight of 235.18 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(5-methyl-3-oxo-1,2-oxazolidin-2-yl)-2-oxopropyl]phosphinic acid is sourced from PubChem (CID 59102717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).