methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid

C7H16NO3P — CID 58030070

IUPACmethyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid
SMILESCC(C)N1CC(OP(C)(=O)O)C1
InChIInChI=1S/C7H16NO3P/c1-6(2)8-4-7(5-8)11-12(3,9)10/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyLSWYCCNKUZUDTN-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.91
Rot. Bonds3

About methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid

methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid (PubChem CID 58030070) has the molecular formula C7H16NO3P and a molecular weight of 193.18 g/mol. Its IUPAC name is methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid.

Molecular Properties

Compound Namemethyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid
PubChem CID58030070
Molecular FormulaC7H16NO3P
Molecular Weight193.18 g/mol
Exact Mass193.09
IUPAC Namemethyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid
SMILESCC(C)N1CC(OP(C)(=O)O)C1
InChIInChI=1S/C7H16NO3P/c1-6(2)8-4-7(5-8)11-12(3,9)10/h6-7H,4-5H2,1-3H3,(H,9,10)
InChIKeyLSWYCCNKUZUDTN-UHFFFAOYSA-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-propan-2-yl-3-propan-2-yloxyazetidine
CID 59470900
4-amino-1-propan-2-ylpyrrolidine-3-carbonitrile;4-hydroxy-1-propan-2-ylpyrrolidine-3-carbonitrile;methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid;3-methyl-1-propan-2-ylpyrrolidine;1-propan-2-ylazetidin-3-amine;1-propan-2-ylazetidine;1-propan-2-ylazetidin-3-ol
CID 160827272
(1-propan-2-ylazetidin-3-yl) (2S)-2-amino-3-methylbutanoate
CID 58029614
(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
CID 163526675
(1R,5R)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98053872
(1-propan-2-ylazetidin-3-yl) (2S)-1-methylpyrrolidine-2-carboxylate
CID 90195391
methyl-[(1S,2S,3S,4S,5R,6S)-2,4,5-trihydroxy-3,6-diphosphonooxycyclohexyl]oxyphosphinic acid
CID 18659642
(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-ol
CID 98053860
(3-fluorocyclohexyl)oxy-methylphosphinic acid
CID 175015498
3,4-dimethyl-1-propan-2-ylpyrrolidine
CID 20737893
cyclohexanamine;(4,4-dihydroxycyclohexyl)oxy-methylphosphinic acid
CID 173185881
3-methylsulfinyl-1-propan-2-ylazetidine
CID 122414297

Frequently Asked Questions

What is the IUPAC name of methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid?
The IUPAC name of methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid (CID 58030070) is methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid.
What is the SMILES notation for methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid?
The canonical SMILES for methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid is CC(C)N1CC(OP(C)(=O)O)C1.
What is the InChIKey of methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid?
The InChIKey is LSWYCCNKUZUDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3P/c1-6(2)8-4-7(5-8)11-12(3,9)10/h6-7H,4-5H2,1-3H3,(H,9,10).
What are the key properties of methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid?
methyl-(1-propan-2-ylazetidin-3-yl)oxyphosphinic 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-(1-propan-2-ylazetidin-3-yl)oxyphosphinic acid is sourced from PubChem (CID 58030070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).