(carboxymethylazaniumyl)methyl-hydroxyphosphinate

C3H8NO5P — CID 59310676

IUPAC(carboxymethylazaniumyl)methyl-hydroxyphosphinate
SMILESO=C(O)C[NH2+]CP(=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)
InChIKeyXDDAORKBJWWYJS-UHFFFAOYSA-N
MW169.07 g/mol
LogP-2.86
Rot. Bonds4

About (carboxymethylazaniumyl)methyl-hydroxyphosphinate

(carboxymethylazaniumyl)methyl-hydroxyphosphinate (PubChem CID 59310676) has the molecular formula C3H8NO5P and a molecular weight of 169.07 g/mol. Its IUPAC name is (carboxymethylazaniumyl)methyl-hydroxyphosphinate.

Molecular Properties

Compound Name(carboxymethylazaniumyl)methyl-hydroxyphosphinate
PubChem CID59310676
Molecular FormulaC3H8NO5P
Molecular Weight169.07 g/mol
Exact Mass169.01
IUPAC Name(carboxymethylazaniumyl)methyl-hydroxyphosphinate
SMILESO=C(O)C[NH2+]CP(=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)
InChIKeyXDDAORKBJWWYJS-UHFFFAOYSA-N
XLogP-2.86
TPSA114.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.07
LogP ≤ 5-2.86
H-Bond Donors ≤ 53
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 (carboxymethylazaniumyl)methyl-hydroxyphosphinate?
The IUPAC name of (carboxymethylazaniumyl)methyl-hydroxyphosphinate (CID 59310676) is (carboxymethylazaniumyl)methyl-hydroxyphosphinate.
What is the SMILES notation for (carboxymethylazaniumyl)methyl-hydroxyphosphinate?
The canonical SMILES for (carboxymethylazaniumyl)methyl-hydroxyphosphinate is O=C(O)C[NH2+]CP(=O)([O-])O.
What is the InChIKey of (carboxymethylazaniumyl)methyl-hydroxyphosphinate?
The InChIKey is XDDAORKBJWWYJS-UHFFFAOYSA-N. 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).
What are the key properties of (carboxymethylazaniumyl)methyl-hydroxyphosphinate?
(carboxymethylazaniumyl)methyl-hydroxyphosphinate has a molecular weight of 169.07 g/mol, XLogP of -2.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (carboxymethylazaniumyl)methyl-hydroxyphosphinate is sourced from PubChem (CID 59310676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).