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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).