[(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate

C3H11NO6P2 — CID 139058849

IUPAC[(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate
SMILESCC[C@]([NH3+])(P(=O)([O-])O)P(=O)(O)O
InChIInChI=1S/C3H11NO6P2/c1-2-3(4,11(5,6)7)12(8,9)10/h2,4H2,1H3,(H2,5,6,7)(H2,8,9,10)
InChIKeyPCTMREJZUSEOQD-UHFFFAOYSA-N
MW219.07 g/mol
LogP-1.98
Rot. Bonds3

About [(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate

[(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate (PubChem CID 139058849) has the molecular formula C3H11NO6P2 and a molecular weight of 219.07 g/mol. Its IUPAC name is [(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate.

Molecular Properties

Compound Name[(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate
PubChem CID139058849
Molecular FormulaC3H11NO6P2
Molecular Weight219.07 g/mol
Exact Mass219.01
IUPAC Name[(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate
SMILESCC[C@]([NH3+])(P(=O)([O-])O)P(=O)(O)O
InChIInChI=1S/C3H11NO6P2/c1-2-3(4,11(5,6)7)12(8,9)10/h2,4H2,1H3,(H2,5,6,7)(H2,8,9,10)
InChIKeyPCTMREJZUSEOQD-UHFFFAOYSA-N
XLogP-1.98
TPSA145.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 5-1.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate 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 [(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate?
The IUPAC name of [(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate (CID 139058849) is [(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate.
What is the SMILES notation for [(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate?
The canonical SMILES for [(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate is CC[C@]([NH3+])(P(=O)([O-])O)P(=O)(O)O.
What is the InChIKey of [(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate?
The InChIKey is PCTMREJZUSEOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO6P2/c1-2-3(4,11(5,6)7)12(8,9)10/h2,4H2,1H3,(H2,5,6,7)(H2,8,9,10).
What are the key properties of [(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate?
[(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate has a molecular weight of 219.07 g/mol, XLogP of -1.98, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-azaniumyl-1-phosphonopropyl]-hydroxyphosphinate is sourced from PubChem (CID 139058849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).