[(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium

C5H13NO3P- — CID 2063729

IUPAC[(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium
SMILESCC(C)(C)[C@H]([NH3+])P(=O)([O-])[O-]
InChIInChI=1S/C5H14NO3P/c1-5(2,3)4(6)10(7,8)9/h4H,6H2,1-3H3,(H2,7,8,9)/p-1/t4-/m1/s1
InChIKeyOZTDKZBAEQVCEE-SCSAIBSYSA-M
MW166.14 g/mol
LogP-1.49
Rot. Bonds1

About [(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium

[(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium (PubChem CID 2063729) has the molecular formula C5H13NO3P- and a molecular weight of 166.14 g/mol. Its IUPAC name is [(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium.

Molecular Properties

Compound Name[(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium
PubChem CID2063729
Molecular FormulaC5H13NO3P-
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name[(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium
SMILESCC(C)(C)[C@H]([NH3+])P(=O)([O-])[O-]
InChIInChI=1S/C5H14NO3P/c1-5(2,3)4(6)10(7,8)9/h4H,6H2,1-3H3,(H2,7,8,9)/p-1/t4-/m1/s1
InChIKeyOZTDKZBAEQVCEE-SCSAIBSYSA-M
XLogP-1.49
TPSA90.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-1.49
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

[(1S)-2-methyl-1-phosphonatopropyl]azanium
CID 6994610
copper tert-butyl-dioxido-oxo-λ5-phosphane
CID 155673850
[(1R)-1-phosphonatobutyl]azanium
CID 7167663
tetrakis(tert-butylazanium);phosphonato phosphate
CID 139755539
aluminum tris(tert-butyl(methyl)phosphinate)
CID 173016084
aluminum tris(ditert-butylphosphinate)
CID 175284123
dipotassium;1-phosphonatoethanol
CID 22352114
[(1R)-1-phosphonatohexyl]azanium
CID 7021159
octasodium;dioxido-oxo-(1,1,1-triphosphonatopropan-2-yl)-λ5-phosphane
CID 19967714
azane;cobalt(3+);phosphate
CID 3082159
dihydrogen phosphate;tetramethylphosphanium
CID 71359633
bis(ditert-butylalumanylium);methyl-dioxido-oxo-λ5-phosphane
CID 175312218

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium?
The IUPAC name of [(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium (CID 2063729) is [(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium.
What is the SMILES notation for [(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium?
The canonical SMILES for [(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium is CC(C)(C)[C@H]([NH3+])P(=O)([O-])[O-].
What is the InChIKey of [(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium?
The InChIKey is OZTDKZBAEQVCEE-SCSAIBSYSA-M. The full InChI is InChI=1S/C5H14NO3P/c1-5(2,3)4(6)10(7,8)9/h4H,6H2,1-3H3,(H2,7,8,9)/p-1/t4-/m1/s1.
What are the key properties of [(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium?
[(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium has a molecular weight of 166.14 g/mol, XLogP of -1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium is sourced from PubChem (CID 2063729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).