2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate

C3H7NO5P- — CID 24848186

IUPAC2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate
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)/p-1
InChIKeyXDDAORKBJWWYJS-UHFFFAOYSA-M
MW168.06 g/mol
LogP-4.20
Rot. Bonds4

About 2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate

2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate (PubChem CID 24848186) has the molecular formula C3H7NO5P- and a molecular weight of 168.06 g/mol. Its IUPAC name is 2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate.

Molecular Properties

Compound Name2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate
PubChem CID24848186
Molecular FormulaC3H7NO5P-
Molecular Weight168.06 g/mol
Exact Mass168.01
IUPAC Name2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate
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)/p-1
InChIKeyXDDAORKBJWWYJS-UHFFFAOYSA-M
XLogP-4.20
TPSA117.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.06
LogP ≤ 5-4.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate?
The IUPAC name of 2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate (CID 24848186) is 2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate.
What is the SMILES notation for 2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate?
The canonical SMILES for 2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate is O=C([O-])C[NH2+]CP(=O)([O-])O.
What is the InChIKey of 2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate?
The InChIKey is XDDAORKBJWWYJS-UHFFFAOYSA-M. 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-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate?
2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate has a molecular weight of 168.06 g/mol, XLogP of -4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(oxido)phosphoryl]methylazaniumyl]acetate is sourced from PubChem (CID 24848186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).