[(1R)-1-phosphonatobutyl]azanium

C4H11NO3P- — CID 7167663

IUPAC[(1R)-1-phosphonatobutyl]azanium
SMILESCCC[C@H]([NH3+])P(=O)([O-])[O-]
InChIInChI=1S/C4H12NO3P/c1-2-3-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/p-1/t4-/m1/s1
InChIKeyUAEPDDGDPAPPHZ-SCSAIBSYSA-M
MW152.11 g/mol
LogP-1.73
Rot. Bonds3

About [(1R)-1-phosphonatobutyl]azanium

[(1R)-1-phosphonatobutyl]azanium (PubChem CID 7167663) has the molecular formula C4H11NO3P- and a molecular weight of 152.11 g/mol. Its IUPAC name is [(1R)-1-phosphonatobutyl]azanium.

Molecular Properties

Compound Name[(1R)-1-phosphonatobutyl]azanium
PubChem CID7167663
Molecular FormulaC4H11NO3P-
Molecular Weight152.11 g/mol
Exact Mass152.05
IUPAC Name[(1R)-1-phosphonatobutyl]azanium
SMILESCCC[C@H]([NH3+])P(=O)([O-])[O-]
InChIInChI=1S/C4H12NO3P/c1-2-3-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/p-1/t4-/m1/s1
InChIKeyUAEPDDGDPAPPHZ-SCSAIBSYSA-M
XLogP-1.73
TPSA90.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-1.73
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

[(1R)-1-phosphonatohexyl]azanium
CID 7021159
butane;lanthanum(3+);phosphate
CID 118953489
triazanium;propylazanium;diphosphate
CID 154732334
[(1S)-2-methyl-1-phosphonatopropyl]azanium
CID 6994610
[(1R)-2,2-dimethyl-1-phosphonatopropyl]azanium
CID 2063729
dimethyl phosphate;tetrapropylphosphanium
CID 87475978
trizinc;tris(3-methanidylheptane);phosphate
CID 158042505
lanthanum(3+);bis(3-methanidylheptane);phosphate
CID 175484799
magnesium bis(2-propylpentanoate)
CID 13327120
dilithium bis(2-propylpentanoate)
CID 140557398
tris(dibutyl-methyl-(5-propylnonan-5-yl)phosphanium);phosphate
CID 175162407
disodium;2-propylhexyl phosphate
CID 153363799

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-phosphonatobutyl]azanium?
The IUPAC name of [(1R)-1-phosphonatobutyl]azanium (CID 7167663) is [(1R)-1-phosphonatobutyl]azanium.
What is the SMILES notation for [(1R)-1-phosphonatobutyl]azanium?
The canonical SMILES for [(1R)-1-phosphonatobutyl]azanium is CCC[C@H]([NH3+])P(=O)([O-])[O-].
What is the InChIKey of [(1R)-1-phosphonatobutyl]azanium?
The InChIKey is UAEPDDGDPAPPHZ-SCSAIBSYSA-M. The full InChI is InChI=1S/C4H12NO3P/c1-2-3-4(5)9(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/p-1/t4-/m1/s1.
What are the key properties of [(1R)-1-phosphonatobutyl]azanium?
[(1R)-1-phosphonatobutyl]azanium has a molecular weight of 152.11 g/mol, XLogP of -1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-phosphonatobutyl]azanium is sourced from PubChem (CID 7167663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).