3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid

C6H14NO4P — CID 169084710

IUPAC3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid
SMILESCC(C)OP(=O)(O)CCC=NO
InChIInChI=1S/C6H14NO4P/c1-6(2)11-12(9,10)5-3-4-7-8/h4,6,8H,3,5H2,1-2H3,(H,9,10)
InChIKeyJXDOFFMRQDGEFO-UHFFFAOYSA-N
MW195.16 g/mol
LogP1.45
Rot. Bonds5

About 3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid

3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid (PubChem CID 169084710) has the molecular formula C6H14NO4P and a molecular weight of 195.16 g/mol. Its IUPAC name is 3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid.

Molecular Properties

Compound Name3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid
PubChem CID169084710
Molecular FormulaC6H14NO4P
Molecular Weight195.16 g/mol
Exact Mass195.07
IUPAC Name3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid
SMILESCC(C)OP(=O)(O)CCC=NO
InChIInChI=1S/C6H14NO4P/c1-6(2)11-12(9,10)5-3-4-7-8/h4,6,8H,3,5H2,1-2H3,(H,9,10)
InChIKeyJXDOFFMRQDGEFO-UHFFFAOYSA-N
XLogP1.45
TPSA79.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 51.45
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
(E)-2-diethoxyphosphoryl-N-methoxyethanimine
CID 135087116
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
N-ethoxy-3-phosphorosooxypropan-1-imine
CID 140555804
Sodium 3-ethoxyiminopropyl-oxido-oxophosphanium
CID 145738500
(NE)-N-[2-[ethoxy(methoxy)phosphoryl]ethylidene]hydroxylamine
CID 146347071

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid?
The IUPAC name of 3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid (CID 169084710) is 3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid.
What is the SMILES notation for 3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid?
The canonical SMILES for 3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid is CC(C)OP(=O)(O)CCC=NO.
What is the InChIKey of 3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid?
The InChIKey is JXDOFFMRQDGEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO4P/c1-6(2)11-12(9,10)5-3-4-7-8/h4,6,8H,3,5H2,1-2H3,(H,9,10).
What are the key properties of 3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid?
3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid has a molecular weight of 195.16 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyiminopropyl(propan-2-yloxy)phosphinic acid is sourced from PubChem (CID 169084710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).