(carboxymethylamino)-oxidophosphanium

C2H6NO3P — CID 102012650

IUPAC(carboxymethylamino)-oxidophosphanium
SMILESO=C(O)CN[PH2+][O-]
InChIInChI=1S/C2H6NO3P/c4-2(5)1-3-7-6/h3H,1,7H2,(H,4,5)
InChIKeyCEFYGCQEIFOHBP-UHFFFAOYSA-N
MW123.05 g/mol
LogP-1.74
Rot. Bonds3

About (carboxymethylamino)-oxidophosphanium

(carboxymethylamino)-oxidophosphanium (PubChem CID 102012650) has the molecular formula C2H6NO3P and a molecular weight of 123.05 g/mol. Its IUPAC name is (carboxymethylamino)-oxidophosphanium.

Molecular Properties

Compound Name(carboxymethylamino)-oxidophosphanium
PubChem CID102012650
Molecular FormulaC2H6NO3P
Molecular Weight123.05 g/mol
Exact Mass123.01
IUPAC Name(carboxymethylamino)-oxidophosphanium
SMILESO=C(O)CN[PH2+][O-]
InChIInChI=1S/C2H6NO3P/c4-2(5)1-3-7-6/h3H,1,7H2,(H,4,5)
InChIKeyCEFYGCQEIFOHBP-UHFFFAOYSA-N
XLogP-1.74
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.05
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
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 (carboxymethylamino)-oxidophosphanium?
The IUPAC name of (carboxymethylamino)-oxidophosphanium (CID 102012650) is (carboxymethylamino)-oxidophosphanium.
What is the SMILES notation for (carboxymethylamino)-oxidophosphanium?
The canonical SMILES for (carboxymethylamino)-oxidophosphanium is O=C(O)CN[PH2+][O-].
What is the InChIKey of (carboxymethylamino)-oxidophosphanium?
The InChIKey is CEFYGCQEIFOHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6NO3P/c4-2(5)1-3-7-6/h3H,1,7H2,(H,4,5).
What are the key properties of (carboxymethylamino)-oxidophosphanium?
(carboxymethylamino)-oxidophosphanium has a molecular weight of 123.05 g/mol, XLogP of -1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (carboxymethylamino)-oxidophosphanium is sourced from PubChem (CID 102012650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).