[2-(phosphonomethylamino)acetyl]oxidanium

C3H9NO5P+ — CID 59121230

IUPAC[2-(phosphonomethylamino)acetyl]oxidanium
SMILESO=C([OH2+])CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p+1
InChIKeyXDDAORKBJWWYJS-UHFFFAOYSA-O
MW170.08 g/mol
LogP-2.04
Rot. Bonds4

About [2-(phosphonomethylamino)acetyl]oxidanium

[2-(phosphonomethylamino)acetyl]oxidanium (PubChem CID 59121230) has the molecular formula C3H9NO5P+ and a molecular weight of 170.08 g/mol. Its IUPAC name is [2-(phosphonomethylamino)acetyl]oxidanium.

Molecular Properties

Compound Name[2-(phosphonomethylamino)acetyl]oxidanium
PubChem CID59121230
Molecular FormulaC3H9NO5P+
Molecular Weight170.08 g/mol
Exact Mass170.02
IUPAC Name[2-(phosphonomethylamino)acetyl]oxidanium
SMILESO=C([OH2+])CNCP(=O)(O)O
InChIInChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p+1
InChIKeyXDDAORKBJWWYJS-UHFFFAOYSA-O
XLogP-2.04
TPSA109.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.08
LogP ≤ 5-2.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(phosphonomethylamino)acetyl]oxidanium 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 [2-(phosphonomethylamino)acetyl]oxidanium?
The IUPAC name of [2-(phosphonomethylamino)acetyl]oxidanium (CID 59121230) is [2-(phosphonomethylamino)acetyl]oxidanium.
What is the SMILES notation for [2-(phosphonomethylamino)acetyl]oxidanium?
The canonical SMILES for [2-(phosphonomethylamino)acetyl]oxidanium is O=C([OH2+])CNCP(=O)(O)O.
What is the InChIKey of [2-(phosphonomethylamino)acetyl]oxidanium?
The InChIKey is XDDAORKBJWWYJS-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)/p+1.
What are the key properties of [2-(phosphonomethylamino)acetyl]oxidanium?
[2-(phosphonomethylamino)acetyl]oxidanium has a molecular weight of 170.08 g/mol, XLogP of -2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(phosphonomethylamino)acetyl]oxidanium is sourced from PubChem (CID 59121230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).