methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid

C7H16NO3P — CID 89327718

IUPACmethyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
SMILESCN1CCC[C@@H]1COP(C)(=O)O
InChIInChI=1S/C7H16NO3P/c1-8-5-3-4-7(8)6-11-12(2,9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1
InChIKeyGQOLSHLNXPGYQR-SSDOTTSWSA-N
MW193.18 g/mol
LogP0.91
Rot. Bonds3

About methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid

methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid (PubChem CID 89327718) has the molecular formula C7H16NO3P and a molecular weight of 193.18 g/mol. Its IUPAC name is methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid.

Molecular Properties

Compound Namemethyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
PubChem CID89327718
Molecular FormulaC7H16NO3P
Molecular Weight193.18 g/mol
Exact Mass193.09
IUPAC Namemethyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid
SMILESCN1CCC[C@@H]1COP(C)(=O)O
InChIInChI=1S/C7H16NO3P/c1-8-5-3-4-7(8)6-11-12(2,9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1
InChIKeyGQOLSHLNXPGYQR-SSDOTTSWSA-N
XLogP0.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-methylpiperidin-2-yl)methyl dihydrogen phosphate
CID 71057563
[(2R)-1-methylpyrrolidin-2-yl]methyl methanesulfonate
CID 58483914
methanesulfonyl chloride;[(2S)-1-methylpyrrolidin-2-yl]methanol
CID 91224158
[(2S)-1-methylpyrrolidin-2-yl]methyl hypoiodite
CID 149141238
(1-methylpyrrolidin-2-yl)methyl formate
CID 54245188
(1-methylpyrrolidin-2-yl)methanol;yttrium
CID 164903793
ethane;2-(ethoxymethyl)-1-methylpyrrolidine
CID 169145954
3-[(1-methylpyrrolidin-2-yl)methoxy]propanoic acid
CID 83817688
[(2S)-1-aminopyrrolidin-2-yl]methyl dihydrogen phosphate
CID 142914002
cyclohexane;[(2S)-1-methylpyrrolidin-2-yl]methanol;molecular hydrogen
CID 143951282
difluoromethanol;O-[(1-methylpyrrolidin-2-yl)methyl]hydroxylamine
CID 168880743
[(2S)-1-(3-hydroxypropyl)pyrrolidin-2-yl]methyl dihydrogen phosphate
CID 71122648

Frequently Asked Questions

What is the IUPAC name of methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid?
The IUPAC name of methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid (CID 89327718) is methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid.
What is the SMILES notation for methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid?
The canonical SMILES for methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid is CN1CCC[C@@H]1COP(C)(=O)O.
What is the InChIKey of methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid?
The InChIKey is GQOLSHLNXPGYQR-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H16NO3P/c1-8-5-3-4-7(8)6-11-12(2,9)10/h7H,3-6H2,1-2H3,(H,9,10)/t7-/m1/s1.
What are the key properties of methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid?
methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid has a molecular weight of 193.18 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phosphinic acid is sourced from PubChem (CID 89327718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).