[amino(hydroxy)methyl]-ethoxyphosphinic acid

C3H10NO4P — CID 174477551

IUPAC[amino(hydroxy)methyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(N)O
InChIInChI=1S/C3H10NO4P/c1-2-8-9(6,7)3(4)5/h3,5H,2,4H2,1H3,(H,6,7)
InChIKeyUKJDESXRKXJTKZ-UHFFFAOYSA-N
MW155.09 g/mol
LogP-0.56
Rot. Bonds3

About [amino(hydroxy)methyl]-ethoxyphosphinic acid

[amino(hydroxy)methyl]-ethoxyphosphinic acid (PubChem CID 174477551) has the molecular formula C3H10NO4P and a molecular weight of 155.09 g/mol. Its IUPAC name is [amino(hydroxy)methyl]-ethoxyphosphinic acid.

Molecular Properties

Compound Name[amino(hydroxy)methyl]-ethoxyphosphinic acid
PubChem CID174477551
Molecular FormulaC3H10NO4P
Molecular Weight155.09 g/mol
Exact Mass155.03
IUPAC Name[amino(hydroxy)methyl]-ethoxyphosphinic acid
SMILESCCOP(=O)(O)C(N)O
InChIInChI=1S/C3H10NO4P/c1-2-8-9(6,7)3(4)5/h3,5H,2,4H2,1H3,(H,6,7)
InChIKeyUKJDESXRKXJTKZ-UHFFFAOYSA-N
XLogP-0.56
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
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'}

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Frequently Asked Questions

What is the IUPAC name of [amino(hydroxy)methyl]-ethoxyphosphinic acid?
The IUPAC name of [amino(hydroxy)methyl]-ethoxyphosphinic acid (CID 174477551) is [amino(hydroxy)methyl]-ethoxyphosphinic acid.
What is the SMILES notation for [amino(hydroxy)methyl]-ethoxyphosphinic acid?
The canonical SMILES for [amino(hydroxy)methyl]-ethoxyphosphinic acid is CCOP(=O)(O)C(N)O.
What is the InChIKey of [amino(hydroxy)methyl]-ethoxyphosphinic acid?
The InChIKey is UKJDESXRKXJTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO4P/c1-2-8-9(6,7)3(4)5/h3,5H,2,4H2,1H3,(H,6,7).
What are the key properties of [amino(hydroxy)methyl]-ethoxyphosphinic acid?
[amino(hydroxy)methyl]-ethoxyphosphinic acid has a molecular weight of 155.09 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(hydroxy)methyl]-ethoxyphosphinic acid is sourced from PubChem (CID 174477551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).