[[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid

C2H9NO6P2 — CID 87853523

IUPAC[[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid
SMILESCP(=O)(O)ONCP(=O)(O)O
InChIInChI=1S/C2H9NO6P2/c1-10(4,5)9-3-2-11(6,7)8/h3H,2H2,1H3,(H,4,5)(H2,6,7,8)
InChIKeyRABYQVAOWZSWQY-UHFFFAOYSA-N
MW205.04 g/mol
LogP-0.54
Rot. Bonds4

About [[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid

[[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid (PubChem CID 87853523) has the molecular formula C2H9NO6P2 and a molecular weight of 205.04 g/mol. Its IUPAC name is [[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid.

Molecular Properties

Compound Name[[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid
PubChem CID87853523
Molecular FormulaC2H9NO6P2
Molecular Weight205.04 g/mol
Exact Mass204.99
IUPAC Name[[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid
SMILESCP(=O)(O)ONCP(=O)(O)O
InChIInChI=1S/C2H9NO6P2/c1-10(4,5)9-3-2-11(6,7)8/h3H,2H2,1H3,(H,4,5)(H2,6,7,8)
InChIKeyRABYQVAOWZSWQY-UHFFFAOYSA-N
XLogP-0.54
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl-(2-propylpentylamino)oxyphosphinic acid
CID 174931978
acetamidomethylphosphonic acid
CID 3017080
(hydroxymethylamino)methylphosphonic acid
CID 20673096
(2S)-3-ethoxy-2-(phosphonomethylamino)propanoic acid
CID 90871035
methyl-[(2-methylprop-2-enoylamino)methoxy]phosphinic acid
CID 90210674
[[2-methyl-3-[2-methyl-3-[2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propanoyl]oxy-2-[[2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propanoyl]oxymethyl]propanoyl]oxy-2-[[2-methyl-3-[2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propanoyl]oxy-2-[[2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propanoyl]oxymethyl]propanoyl]oxymethyl]propanoyl]amino]methylphosphonic acid
CID 146397727
sodium;hydride;methyl(methylaminomethyl)phosphinic acid
CID 173239428
bis(prop-2-enylamino) hydrogen phosphate
CID 88835074
phosphono-(sulfinoamino)methane
CID 22179310
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methylphosphonic acid
CID 175378176
[[1,4-diphosphono-4-(phosphonomethylamino)butyl]amino]methylphosphonic acid
CID 118864879
2-[methyl-[2-[methyl(2-phosphonoethyl)amino]ethyl]amino]ethylphosphonic acid
CID 23422673

Frequently Asked Questions

What is the IUPAC name of [[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid?
The IUPAC name of [[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid (CID 87853523) is [[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid.
What is the SMILES notation for [[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid?
The canonical SMILES for [[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid is CP(=O)(O)ONCP(=O)(O)O.
What is the InChIKey of [[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid?
The InChIKey is RABYQVAOWZSWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9NO6P2/c1-10(4,5)9-3-2-11(6,7)8/h3H,2H2,1H3,(H,4,5)(H2,6,7,8).
What are the key properties of [[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid?
[[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid has a molecular weight of 205.04 g/mol, XLogP of -0.54, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[hydroxy(methyl)phosphoryl]oxyamino]methylphosphonic acid is sourced from PubChem (CID 87853523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).