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

C3H6NO5P-2 — CID 25203640

IUPAC2-[[hydroxy(oxido)phosphoryl]methylamino]acetate
SMILESO=C([O-])CNCP(=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-2
InChIKeyXDDAORKBJWWYJS-UHFFFAOYSA-L
MW167.06 g/mol
LogP-3.17
Rot. Bonds4

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

2-[[hydroxy(oxido)phosphoryl]methylamino]acetate (PubChem CID 25203640) has the molecular formula C3H6NO5P-2 and a molecular weight of 167.06 g/mol. Its IUPAC name is 2-[[hydroxy(oxido)phosphoryl]methylamino]acetate.

Molecular Properties

Compound Name2-[[hydroxy(oxido)phosphoryl]methylamino]acetate
PubChem CID25203640
Molecular FormulaC3H6NO5P-2
Molecular Weight167.06 g/mol
Exact Mass167.00
IUPAC Name2-[[hydroxy(oxido)phosphoryl]methylamino]acetate
SMILESO=C([O-])CNCP(=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-2
InChIKeyXDDAORKBJWWYJS-UHFFFAOYSA-L
XLogP-3.17
TPSA112.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.06
LogP ≤ 5-3.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[hydroxy(oxido)phosphoryl]methylamino]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 2-[[hydroxy(oxido)phosphoryl]methylamino]acetate?
The IUPAC name of 2-[[hydroxy(oxido)phosphoryl]methylamino]acetate (CID 25203640) is 2-[[hydroxy(oxido)phosphoryl]methylamino]acetate.
What is the SMILES notation for 2-[[hydroxy(oxido)phosphoryl]methylamino]acetate?
The canonical SMILES for 2-[[hydroxy(oxido)phosphoryl]methylamino]acetate is O=C([O-])CNCP(=O)([O-])O.
What is the InChIKey of 2-[[hydroxy(oxido)phosphoryl]methylamino]acetate?
The InChIKey is XDDAORKBJWWYJS-UHFFFAOYSA-L. 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-2.
What are the key properties of 2-[[hydroxy(oxido)phosphoryl]methylamino]acetate?
2-[[hydroxy(oxido)phosphoryl]methylamino]acetate has a molecular weight of 167.06 g/mol, XLogP of -3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[hydroxy(oxido)phosphoryl]methylamino]acetate is sourced from PubChem (CID 25203640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).