[(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid

C3H10N3O5P — CID 87933519

IUPAC[(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid
SMILESNOC(=O)C(N)NCP(=O)(O)O
InChIInChI=1S/C3H10N3O5P/c4-2(3(7)11-5)6-1-12(8,9)10/h2,6H,1,4-5H2,(H2,8,9,10)
InChIKeyIDFHXYMCYBVTSD-UHFFFAOYSA-N
MW199.10 g/mol
LogP-2.59
Rot. Bonds4

About [(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid

[(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid (PubChem CID 87933519) has the molecular formula C3H10N3O5P and a molecular weight of 199.10 g/mol. Its IUPAC name is [(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid.

Molecular Properties

Compound Name[(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid
PubChem CID87933519
Molecular FormulaC3H10N3O5P
Molecular Weight199.10 g/mol
Exact Mass199.04
IUPAC Name[(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid
SMILESNOC(=O)C(N)NCP(=O)(O)O
InChIInChI=1S/C3H10N3O5P/c4-2(3(7)11-5)6-1-12(8,9)10/h2,6H,1,4-5H2,(H2,8,9,10)
InChIKeyIDFHXYMCYBVTSD-UHFFFAOYSA-N
XLogP-2.59
TPSA147.90 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.10
LogP ≤ 5-2.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

amino 2-amino-2-(pentan-3-ylamino)acetate
CID 89231913
[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]methylphosphonic acid
CID 174568005
[[1,4-diphosphono-4-(phosphonomethylamino)butyl]amino]methylphosphonic acid
CID 118864879
acetamidomethylphosphonic acid
CID 3017080
[(2-aminoacetyl)amino]methylphosphonic acid;propan-2-amine
CID 161473833
(2-aminopropylamino)methylphosphonic acid
CID 174921252
(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid
CID 25153772
[(1,5-diamino-1,5-dioxopentan-2-yl)amino]methylphosphonic acid
CID 23728613
[[(2R)-1-amino-3-methyl-1-oxo-3-sulfanylbutan-2-yl]amino]methylphosphonic acid
CID 87480080
[amino(phosphono)methyl]-trihydroxyphosphanium
CID 89151684
[(2R)-2-aminopropyl]phosphonic acid
CID 92524852
(2S)-3-ethoxy-2-(phosphonomethylamino)propanoic acid
CID 90871035

Frequently Asked Questions

What is the IUPAC name of [(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid?
The IUPAC name of [(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid (CID 87933519) is [(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid.
What is the SMILES notation for [(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid?
The canonical SMILES for [(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid is NOC(=O)C(N)NCP(=O)(O)O.
What is the InChIKey of [(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid?
The InChIKey is IDFHXYMCYBVTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N3O5P/c4-2(3(7)11-5)6-1-12(8,9)10/h2,6H,1,4-5H2,(H2,8,9,10).
What are the key properties of [(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid?
[(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid has a molecular weight of 199.10 g/mol, XLogP of -2.59, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-amino-2-aminooxy-2-oxoethyl)amino]methylphosphonic acid is sourced from PubChem (CID 87933519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).