(2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid

C6H15N2O3P — CID 167433551

IUPAC(2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid
SMILESCCC(C)P(=O)(O)CC(N)=NO
InChIInChI=1S/C6H15N2O3P/c1-3-5(2)12(10,11)4-6(7)8-9/h5,9H,3-4H2,1-2H3,(H2,7,8)(H,10,11)
InChIKeyUGGWWIRFLYVIDD-UHFFFAOYSA-N
MW194.17 g/mol
LogP0.80
Rot. Bonds4

About (2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid

(2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid (PubChem CID 167433551) has the molecular formula C6H15N2O3P and a molecular weight of 194.17 g/mol. Its IUPAC name is (2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid.

Molecular Properties

Compound Name(2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid
PubChem CID167433551
Molecular FormulaC6H15N2O3P
Molecular Weight194.17 g/mol
Exact Mass194.08
IUPAC Name(2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid
SMILESCCC(C)P(=O)(O)CC(N)=NO
InChIInChI=1S/C6H15N2O3P/c1-3-5(2)12(10,11)4-6(7)8-9/h5,9H,3-4H2,1-2H3,(H2,7,8)(H,10,11)
InChIKeyUGGWWIRFLYVIDD-UHFFFAOYSA-N
XLogP0.80
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid
CID 167433576
bis(butan-2-yl(ethyl)phosphinic acid);iron
CID 157342521
butan-2-yl(propyl)phosphinic acid
CID 87395468
(2-amino-2-hydroxyiminoethyl)-nonylphosphinic acid
CID 167433591
3-[butan-2-yl(hydroxy)phosphoryl]propanoic acid
CID 46216498
(2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid
CID 167433564
(2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid
CID 167433583
N'-hydroxy-3-methylhexanimidamide
CID 76589131
2-butan-2-yloxy-N'-hydroxyethanimidamide
CID 76883223
2-[butan-2-yl(methyl)amino]-N'-hydroxyethanimidamide
CID 43272969
[(1S)-1-aminopropyl]phosphonic acid
CID 6994862
butan-2-ylphosphonic acid;phosphonoformic acid
CID 159567547

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid?
The IUPAC name of (2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid (CID 167433551) is (2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid.
What is the SMILES notation for (2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid?
The canonical SMILES for (2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid is CCC(C)P(=O)(O)CC(N)=NO.
What is the InChIKey of (2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid?
The InChIKey is UGGWWIRFLYVIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N2O3P/c1-3-5(2)12(10,11)4-6(7)8-9/h5,9H,3-4H2,1-2H3,(H2,7,8)(H,10,11).
What are the key properties of (2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid?
(2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid has a molecular weight of 194.17 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid is sourced from PubChem (CID 167433551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).