[(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium

C3H9NO5P+ — CID 59121227

IUPAC[(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium
SMILESO=C(O)CNCP(=O)(O)[OH2+]
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-1.47
Rot. Bonds4

About [(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium

[(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium (PubChem CID 59121227) has the molecular formula C3H9NO5P+ and a molecular weight of 170.08 g/mol. Its IUPAC name is [(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium.

Molecular Properties

Compound Name[(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium
PubChem CID59121227
Molecular FormulaC3H9NO5P+
Molecular Weight170.08 g/mol
Exact Mass170.02
IUPAC Name[(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium
SMILESO=C(O)CNCP(=O)(O)[OH2+]
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-1.47
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 ≤ 5-1.47
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'}

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Frequently Asked Questions

What is the IUPAC name of [(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium?
The IUPAC name of [(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium (CID 59121227) is [(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium.
What is the SMILES notation for [(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium?
The canonical SMILES for [(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium is O=C(O)CNCP(=O)(O)[OH2+].
What is the InChIKey of [(carboxymethylamino)methyl-hydroxyphosphoryl]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 [(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium?
[(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium has a molecular weight of 170.08 g/mol, XLogP of -1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(carboxymethylamino)methyl-hydroxyphosphoryl]oxidanium is sourced from PubChem (CID 59121227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).