(2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid

C8H19N2O4P — CID 167433583

IUPAC(2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid
SMILESCCCCCCOP(=O)(O)CC(N)=NO
InChIInChI=1S/C8H19N2O4P/c1-2-3-4-5-6-14-15(12,13)7-8(9)10-11/h11H,2-7H2,1H3,(H2,9,10)(H,12,13)
InChIKeyOBEIUGWGJZUUMI-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.52
Rot. Bonds8

About (2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid

(2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid (PubChem CID 167433583) has the molecular formula C8H19N2O4P and a molecular weight of 238.22 g/mol. Its IUPAC name is (2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid.

Molecular Properties

Compound Name(2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid
PubChem CID167433583
Molecular FormulaC8H19N2O4P
Molecular Weight238.22 g/mol
Exact Mass238.11
IUPAC Name(2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid
SMILESCCCCCCOP(=O)(O)CC(N)=NO
InChIInChI=1S/C8H19N2O4P/c1-2-3-4-5-6-14-15(12,13)7-8(9)10-11/h11H,2-7H2,1H3,(H2,9,10)(H,12,13)
InChIKeyOBEIUGWGJZUUMI-UHFFFAOYSA-N
XLogP1.52
TPSA105.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid
CID 167433564
(2-amino-2-hydroxyiminoethyl)-nonylphosphinic acid
CID 167433591
butyl(decoxy)phosphinic acid
CID 139947140
heptoxy(octadecyl)phosphinic acid
CID 139947141
butyl(hexoxy)phosphinic acid
CID 15271220
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
hexyl(pentoxy)phosphinic acid
CID 139947056
iron;octadecyl dihydrogen phosphate
CID 175059517
pentatriacontyl dihydrogen phosphate
CID 164897229
octatriacontyl dihydrogen phosphate
CID 140979287
decyl dodecyl hydrogen phosphate
CID 20810618

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid?
The IUPAC name of (2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid (CID 167433583) is (2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid.
What is the SMILES notation for (2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid?
The canonical SMILES for (2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid is CCCCCCOP(=O)(O)CC(N)=NO.
What is the InChIKey of (2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid?
The InChIKey is OBEIUGWGJZUUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N2O4P/c1-2-3-4-5-6-14-15(12,13)7-8(9)10-11/h11H,2-7H2,1H3,(H2,9,10)(H,12,13).
What are the key properties of (2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid?
(2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid has a molecular weight of 238.22 g/mol, XLogP of 1.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid is sourced from PubChem (CID 167433583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).