2-hydroxyiminoethyl(propoxy)phosphinic acid

C5H12NO4P — CID 169084735

IUPAC2-hydroxyiminoethyl(propoxy)phosphinic acid
SMILESCCCOP(=O)(O)CC=NO
InChIInChI=1S/C5H12NO4P/c1-2-4-10-11(8,9)5-3-6-7/h3,7H,2,4-5H2,1H3,(H,8,9)
InChIKeyCTYJYMNECHSWTN-UHFFFAOYSA-N
MW181.13 g/mol
LogP1.06
Rot. Bonds5

About 2-hydroxyiminoethyl(propoxy)phosphinic acid

2-hydroxyiminoethyl(propoxy)phosphinic acid (PubChem CID 169084735) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is 2-hydroxyiminoethyl(propoxy)phosphinic acid.

Molecular Properties

Compound Name2-hydroxyiminoethyl(propoxy)phosphinic acid
PubChem CID169084735
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Name2-hydroxyiminoethyl(propoxy)phosphinic acid
SMILESCCCOP(=O)(O)CC=NO
InChIInChI=1S/C5H12NO4P/c1-2-4-10-11(8,9)5-3-6-7/h3,7H,2,4-5H2,1H3,(H,8,9)
InChIKeyCTYJYMNECHSWTN-UHFFFAOYSA-N
XLogP1.06
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-(2-diethoxyphosphorylethylidene)hydroxylamine
CID 13204159
(NE)-N-(3-diethoxyphosphorylpropylidene)hydroxylamine
CID 11052878
Oximinobutylphosphonic acid dimethyl ester
CID 129815734
2-diethoxyphosphoryl-N-methylethanimine oxide
CID 134895089
3-diethoxyphosphoryl-N-methylpropan-1-imine oxide
CID 135087044
(E)-2-diethoxyphosphoryl-N-methoxyethanimine
CID 135087116
(E)-2-dimethoxyphosphoryl-N-methoxyethanimine
CID 19842332
4,5-Dihydro-1,2-oxazol-5-ylmethylphosphonic acid
CID 21614132
2-(Ethylideneamino)oxyethoxy-methylphosphinic acid
CID 59073323
Dipropyl [2-(hydroxyimino)ethyl]phosphonate
CID 71329549
Diethyl [2-(hydroxyimino)ethyl]phosphonate
CID 71335397
N-[2-di(propan-2-yloxy)phosphorylethylidene]hydroxylamine
CID 73178711

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyiminoethyl(propoxy)phosphinic acid?
The IUPAC name of 2-hydroxyiminoethyl(propoxy)phosphinic acid (CID 169084735) is 2-hydroxyiminoethyl(propoxy)phosphinic acid.
What is the SMILES notation for 2-hydroxyiminoethyl(propoxy)phosphinic acid?
The canonical SMILES for 2-hydroxyiminoethyl(propoxy)phosphinic acid is CCCOP(=O)(O)CC=NO.
What is the InChIKey of 2-hydroxyiminoethyl(propoxy)phosphinic acid?
The InChIKey is CTYJYMNECHSWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P/c1-2-4-10-11(8,9)5-3-6-7/h3,7H,2,4-5H2,1H3,(H,8,9).
What are the key properties of 2-hydroxyiminoethyl(propoxy)phosphinic acid?
2-hydroxyiminoethyl(propoxy)phosphinic acid has a molecular weight of 181.13 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyiminoethyl(propoxy)phosphinic acid is sourced from PubChem (CID 169084735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).