[hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid

C3H11NO6P2 — CID 174758589

IUPAC[hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid
SMILESCNCOP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C3H11NO6P2/c1-4-2-10-12(8,9)3-11(5,6)7/h4H,2-3H2,1H3,(H,8,9)(H2,5,6,7)
InChIKeyPGRUSIAGCKWRTK-UHFFFAOYSA-N
MW219.07 g/mol
LogP-0.50
Rot. Bonds5

About [hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid

[hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid (PubChem CID 174758589) has the molecular formula C3H11NO6P2 and a molecular weight of 219.07 g/mol. Its IUPAC name is [hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid.

Molecular Properties

Compound Name[hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid
PubChem CID174758589
Molecular FormulaC3H11NO6P2
Molecular Weight219.07 g/mol
Exact Mass219.01
IUPAC Name[hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid
SMILESCNCOP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C3H11NO6P2/c1-4-2-10-12(8,9)3-11(5,6)7/h4H,2-3H2,1H3,(H,8,9)(H2,5,6,7)
InChIKeyPGRUSIAGCKWRTK-UHFFFAOYSA-N
XLogP-0.50
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid 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 [hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid?
The IUPAC name of [hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid (CID 174758589) is [hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid.
What is the SMILES notation for [hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid?
The canonical SMILES for [hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid is CNCOP(=O)(O)CP(=O)(O)O.
What is the InChIKey of [hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid?
The InChIKey is PGRUSIAGCKWRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11NO6P2/c1-4-2-10-12(8,9)3-11(5,6)7/h4H,2-3H2,1H3,(H,8,9)(H2,5,6,7).
What are the key properties of [hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid?
[hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid has a molecular weight of 219.07 g/mol, XLogP of -0.50, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(methylaminomethoxy)phosphoryl]methylphosphonic acid is sourced from PubChem (CID 174758589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).