[(1S)-2-methyl-1-phosphonatopropyl]azanium

C4H11NO3P- — CID 6994610

IUPAC[(1S)-2-methyl-1-phosphonatopropyl]azanium
SMILESCC(C)[C@@H]([NH3+])P(=O)([O-])[O-]
InChIInChI=1S/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/p-1/t4-/m0/s1
InChIKeyDGSLPJDIFKVSIB-BYPYZUCNSA-M
MW152.11 g/mol
LogP-1.88
Rot. Bonds2

About [(1S)-2-methyl-1-phosphonatopropyl]azanium

[(1S)-2-methyl-1-phosphonatopropyl]azanium (PubChem CID 6994610) has the molecular formula C4H11NO3P- and a molecular weight of 152.11 g/mol. Its IUPAC name is [(1S)-2-methyl-1-phosphonatopropyl]azanium.

Molecular Properties

Compound Name[(1S)-2-methyl-1-phosphonatopropyl]azanium
PubChem CID6994610
Molecular FormulaC4H11NO3P-
Molecular Weight152.11 g/mol
Exact Mass152.05
IUPAC Name[(1S)-2-methyl-1-phosphonatopropyl]azanium
SMILESCC(C)[C@@H]([NH3+])P(=O)([O-])[O-]
InChIInChI=1S/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/p-1/t4-/m0/s1
InChIKeyDGSLPJDIFKVSIB-BYPYZUCNSA-M
XLogP-1.88
TPSA90.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 5-1.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1S)-2-methyl-1-phosphonatopropyl]azanium?
The IUPAC name of [(1S)-2-methyl-1-phosphonatopropyl]azanium (CID 6994610) is [(1S)-2-methyl-1-phosphonatopropyl]azanium.
What is the SMILES notation for [(1S)-2-methyl-1-phosphonatopropyl]azanium?
The canonical SMILES for [(1S)-2-methyl-1-phosphonatopropyl]azanium is CC(C)[C@@H]([NH3+])P(=O)([O-])[O-].
What is the InChIKey of [(1S)-2-methyl-1-phosphonatopropyl]azanium?
The InChIKey is DGSLPJDIFKVSIB-BYPYZUCNSA-M. The full InChI is InChI=1S/C4H12NO3P/c1-3(2)4(5)9(6,7)8/h3-4H,5H2,1-2H3,(H2,6,7,8)/p-1/t4-/m0/s1.
What are the key properties of [(1S)-2-methyl-1-phosphonatopropyl]azanium?
[(1S)-2-methyl-1-phosphonatopropyl]azanium has a molecular weight of 152.11 g/mol, XLogP of -1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-methyl-1-phosphonatopropyl]azanium is sourced from PubChem (CID 6994610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).