phosphoric acid;2-(trimethylazaniumyl)acetate

C5H14NO6P — CID 24884198

IUPACphosphoric acid;2-(trimethylazaniumyl)acetate
SMILESC[N+](C)(C)CC(=O)[O-].O=P(O)(O)O
InChIInChI=1S/C5H11NO2.H3O4P/c1-6(2,3)4-5(7)8;1-5(2,3)4/h4H2,1-3H3;(H3,1,2,3,4)
InChIKeyRDQMORJTLICVPR-UHFFFAOYSA-N
MW215.14 g/mol
LogP-2.49
Rot. Bonds2

About phosphoric acid;2-(trimethylazaniumyl)acetate

phosphoric acid;2-(trimethylazaniumyl)acetate (PubChem CID 24884198) has the molecular formula C5H14NO6P and a molecular weight of 215.14 g/mol. Its IUPAC name is phosphoric acid;2-(trimethylazaniumyl)acetate.

Molecular Properties

Compound Namephosphoric acid;2-(trimethylazaniumyl)acetate
PubChem CID24884198
Molecular FormulaC5H14NO6P
Molecular Weight215.14 g/mol
Exact Mass215.06
IUPAC Namephosphoric acid;2-(trimethylazaniumyl)acetate
SMILESC[N+](C)(C)CC(=O)[O-].O=P(O)(O)O
InChIInChI=1S/C5H11NO2.H3O4P/c1-6(2,3)4-5(7)8;1-5(2,3)4/h4H2,1-3H3;(H3,1,2,3,4)
InChIKeyRDQMORJTLICVPR-UHFFFAOYSA-N
XLogP-2.49
TPSA117.89 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.14
LogP ≤ 5-2.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze phosphoric acid;2-(trimethylazaniumyl)acetate 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 phosphoric acid;2-(trimethylazaniumyl)acetate?
The IUPAC name of phosphoric acid;2-(trimethylazaniumyl)acetate (CID 24884198) is phosphoric acid;2-(trimethylazaniumyl)acetate.
What is the SMILES notation for phosphoric acid;2-(trimethylazaniumyl)acetate?
The canonical SMILES for phosphoric acid;2-(trimethylazaniumyl)acetate is C[N+](C)(C)CC(=O)[O-].O=P(O)(O)O.
What is the InChIKey of phosphoric acid;2-(trimethylazaniumyl)acetate?
The InChIKey is RDQMORJTLICVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2.H3O4P/c1-6(2,3)4-5(7)8;1-5(2,3)4/h4H2,1-3H3;(H3,1,2,3,4).
What are the key properties of phosphoric acid;2-(trimethylazaniumyl)acetate?
phosphoric acid;2-(trimethylazaniumyl)acetate has a molecular weight of 215.14 g/mol, XLogP of -2.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;2-(trimethylazaniumyl)acetate is sourced from PubChem (CID 24884198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).