[(2-hydroxyacetyl)amino]phosphonic acid

C2H6NO5P — CID 150851977

IUPAC[(2-hydroxyacetyl)amino]phosphonic acid
SMILESO=C(CO)NP(=O)(O)O
InChIInChI=1S/C2H6NO5P/c4-1-2(5)3-9(6,7)8/h4H,1H2,(H3,3,5,6,7,8)
InChIKeyKQFFSFXMSZMFDO-UHFFFAOYSA-N
MW155.05 g/mol
LogP-1.81
Rot. Bonds2

About [(2-hydroxyacetyl)amino]phosphonic acid

[(2-hydroxyacetyl)amino]phosphonic acid (PubChem CID 150851977) has the molecular formula C2H6NO5P and a molecular weight of 155.05 g/mol. Its IUPAC name is [(2-hydroxyacetyl)amino]phosphonic acid.

Molecular Properties

Compound Name[(2-hydroxyacetyl)amino]phosphonic acid
PubChem CID150851977
Molecular FormulaC2H6NO5P
Molecular Weight155.05 g/mol
Exact Mass155.00
IUPAC Name[(2-hydroxyacetyl)amino]phosphonic acid
SMILESO=C(CO)NP(=O)(O)O
InChIInChI=1S/C2H6NO5P/c4-1-2(5)3-9(6,7)8/h4H,1H2,(H3,3,5,6,7,8)
InChIKeyKQFFSFXMSZMFDO-UHFFFAOYSA-N
XLogP-1.81
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.05
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(hydroxymethyl)phosphinic acid;zinc
CID 88775529
2-hydroxyacetic acid;phosphoric acid
CID 23322415
[[2-(hydroxyamino)-2-oxoethyl]amino]phosphonic acid;hydrochloride
CID 88686897
azane;hydroxymethylphosphonic acid
CID 175028252
2-hydroxy-N-sulfanylacetamide
CID 166739002
2-(phosphonoamino)acetic acid;phosphoric acid
CID 175394349
2-hydroxy-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 172508602
CID 131878072
CID 131878072
phosphoric acid;zinc
CID 173400996
N-(2-hydroxyacetyl)carbamoyl iodide
CID 88991853
2-hydroxy-N-[3-[(2-hydroxyacetyl)amino]propyl]acetamide
CID 142043672
hydroxymethoxy-N-propanoylphosphonamidic acid
CID 87902749

Frequently Asked Questions

What is the IUPAC name of [(2-hydroxyacetyl)amino]phosphonic acid?
The IUPAC name of [(2-hydroxyacetyl)amino]phosphonic acid (CID 150851977) is [(2-hydroxyacetyl)amino]phosphonic acid.
What is the SMILES notation for [(2-hydroxyacetyl)amino]phosphonic acid?
The canonical SMILES for [(2-hydroxyacetyl)amino]phosphonic acid is O=C(CO)NP(=O)(O)O.
What is the InChIKey of [(2-hydroxyacetyl)amino]phosphonic acid?
The InChIKey is KQFFSFXMSZMFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6NO5P/c4-1-2(5)3-9(6,7)8/h4H,1H2,(H3,3,5,6,7,8).
What are the key properties of [(2-hydroxyacetyl)amino]phosphonic acid?
[(2-hydroxyacetyl)amino]phosphonic acid has a molecular weight of 155.05 g/mol, XLogP of -1.81, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-hydroxyacetyl)amino]phosphonic acid is sourced from PubChem (CID 150851977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).