3-hydroxyiminobutan-2-yl(propyl)phosphinic acid

C7H16NO3P — CID 169084784

IUPAC3-hydroxyiminobutan-2-yl(propyl)phosphinic acid
SMILESCCCP(=O)(O)C(C)C(C)=NO
InChIInChI=1S/C7H16NO3P/c1-4-5-12(10,11)7(3)6(2)8-9/h7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyNZKDJRVDYKQHEA-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.91
Rot. Bonds4

About 3-hydroxyiminobutan-2-yl(propyl)phosphinic acid

3-hydroxyiminobutan-2-yl(propyl)phosphinic acid (PubChem CID 169084784) has the molecular formula C7H16NO3P and a molecular weight of 193.18 g/mol. Its IUPAC name is 3-hydroxyiminobutan-2-yl(propyl)phosphinic acid.

Molecular Properties

Compound Name3-hydroxyiminobutan-2-yl(propyl)phosphinic acid
PubChem CID169084784
Molecular FormulaC7H16NO3P
Molecular Weight193.18 g/mol
Exact Mass193.09
IUPAC Name3-hydroxyiminobutan-2-yl(propyl)phosphinic acid
SMILESCCCP(=O)(O)C(C)C(C)=NO
InChIInChI=1S/C7H16NO3P/c1-4-5-12(10,11)7(3)6(2)8-9/h7,9H,4-5H2,1-3H3,(H,10,11)
InChIKeyNZKDJRVDYKQHEA-UHFFFAOYSA-N
XLogP1.91
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[hydroxy(propyl)phosphoryl]propanoic acid
CID 46239174
butan-2-yl(propyl)phosphinic acid
CID 87395468
3-hydroxyiminobutan-2-yl(2-methylpropoxy)phosphinic acid
CID 169084686
N-(3-didecoxyphosphorylbutan-2-ylidene)hydroxylamine
CID 169084703
[fluoro-[hydroxy(propyl)phosphoryl]methyl]phosphonic acid
CID 58756569
(3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid
CID 167433576
3-hydroxyiminobutan-2-yl(phenoxy)phosphinic acid
CID 169084705
methyl(propyl)phosphinic acid
CID 10992780
magnesium;dipropylphosphinic acid;hydride
CID 175497166
propylphosphonamidic acid
CID 22250964
(2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid
CID 167433551
(NZ)-N-[(1R)-1-bromo-1-diethoxyphosphorylpropan-2-ylidene]hydroxylamine
CID 129383429

Frequently Asked Questions

What is the IUPAC name of 3-hydroxyiminobutan-2-yl(propyl)phosphinic acid?
The IUPAC name of 3-hydroxyiminobutan-2-yl(propyl)phosphinic acid (CID 169084784) is 3-hydroxyiminobutan-2-yl(propyl)phosphinic acid.
What is the SMILES notation for 3-hydroxyiminobutan-2-yl(propyl)phosphinic acid?
The canonical SMILES for 3-hydroxyiminobutan-2-yl(propyl)phosphinic acid is CCCP(=O)(O)C(C)C(C)=NO.
What is the InChIKey of 3-hydroxyiminobutan-2-yl(propyl)phosphinic acid?
The InChIKey is NZKDJRVDYKQHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO3P/c1-4-5-12(10,11)7(3)6(2)8-9/h7,9H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 3-hydroxyiminobutan-2-yl(propyl)phosphinic acid?
3-hydroxyiminobutan-2-yl(propyl)phosphinic acid has a molecular weight of 193.18 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyiminobutan-2-yl(propyl)phosphinic acid is sourced from PubChem (CID 169084784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).