(hydroxymethylamino)methylphosphonic acid

C2H8NO4P — CID 20673096

IUPAC(hydroxymethylamino)methylphosphonic acid
SMILESO=P(O)(O)CNCO
InChIInChI=1S/C2H8NO4P/c4-1-3-2-8(5,6)7/h3-4H,1-2H2,(H2,5,6,7)
InChIKeyGBVUIHYCVQZRAL-UHFFFAOYSA-N
MW141.06 g/mol
LogP-1.34
Rot. Bonds3

About (hydroxymethylamino)methylphosphonic acid

(hydroxymethylamino)methylphosphonic acid (PubChem CID 20673096) has the molecular formula C2H8NO4P and a molecular weight of 141.06 g/mol. Its IUPAC name is (hydroxymethylamino)methylphosphonic acid.

Molecular Properties

Compound Name(hydroxymethylamino)methylphosphonic acid
PubChem CID20673096
Molecular FormulaC2H8NO4P
Molecular Weight141.06 g/mol
Exact Mass141.02
IUPAC Name(hydroxymethylamino)methylphosphonic acid
SMILESO=P(O)(O)CNCO
InChIInChI=1S/C2H8NO4P/c4-1-3-2-8(5,6)7/h3-4H,1-2H2,(H2,5,6,7)
InChIKeyGBVUIHYCVQZRAL-UHFFFAOYSA-N
XLogP-1.34
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.06
LogP ≤ 5-1.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;2-(phosphonomethylamino)acetic acid
CID 11615303
calcium;hydride;2-(phosphonomethylamino)acetic acid
CID 173098148
calcium bis(2-(phosphonomethylamino)acetate)
CID 139601008
potassium;azane;hydride;2-(phosphonomethylamino)acetic acid
CID 173095568
[(2-chlorooxy-2-oxoethyl)amino]methylphosphonic acid
CID 140635528
(2-aminopropylamino)methylphosphonic acid
CID 174921252
N,N-dimethylmethanamine;[[2-(2-hydroxyethoxy)-2-oxoethyl]amino]methylphosphonic acid
CID 161005171
CID 172849658
CID 172849658
[(2-oxo-2-propan-2-yloxyethyl)amino]methylphosphonic acid
CID 13338650
1-oxo-2-(phosphonomethylamino)-1-(sulfinatoamino)ethane
CID 151151649
[[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid
CID 154381766
[(2-butoxy-2-oxoethyl)amino]methylphosphonic acid
CID 13208151

Frequently Asked Questions

What is the IUPAC name of (hydroxymethylamino)methylphosphonic acid?
The IUPAC name of (hydroxymethylamino)methylphosphonic acid (CID 20673096) is (hydroxymethylamino)methylphosphonic acid.
What is the SMILES notation for (hydroxymethylamino)methylphosphonic acid?
The canonical SMILES for (hydroxymethylamino)methylphosphonic acid is O=P(O)(O)CNCO.
What is the InChIKey of (hydroxymethylamino)methylphosphonic acid?
The InChIKey is GBVUIHYCVQZRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO4P/c4-1-3-2-8(5,6)7/h3-4H,1-2H2,(H2,5,6,7).
What are the key properties of (hydroxymethylamino)methylphosphonic acid?
(hydroxymethylamino)methylphosphonic acid has a molecular weight of 141.06 g/mol, XLogP of -1.34, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroxymethylamino)methylphosphonic acid is sourced from PubChem (CID 20673096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).