(3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid

C7H17N2O3P — CID 167433576

IUPAC(3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid
SMILESCCC(C)P(=O)(O)CCC(N)=NO
InChIInChI=1S/C7H17N2O3P/c1-3-6(2)13(11,12)5-4-7(8)9-10/h6,10H,3-5H2,1-2H3,(H2,8,9)(H,11,12)
InChIKeyHLKGZCYONWXSDT-UHFFFAOYSA-N
MW208.20 g/mol
LogP1.19
Rot. Bonds5

About (3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid

(3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid (PubChem CID 167433576) has the molecular formula C7H17N2O3P and a molecular weight of 208.20 g/mol. Its IUPAC name is (3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid.

Molecular Properties

Compound Name(3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid
PubChem CID167433576
Molecular FormulaC7H17N2O3P
Molecular Weight208.20 g/mol
Exact Mass208.10
IUPAC Name(3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid
SMILESCCC(C)P(=O)(O)CCC(N)=NO
InChIInChI=1S/C7H17N2O3P/c1-3-6(2)13(11,12)5-4-7(8)9-10/h6,10H,3-5H2,1-2H3,(H2,8,9)(H,11,12)
InChIKeyHLKGZCYONWXSDT-UHFFFAOYSA-N
XLogP1.19
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 51.19
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

(2-amino-2-hydroxyiminoethyl)-butan-2-ylphosphinic acid
CID 167433551
3-[butan-2-yl(hydroxy)phosphoryl]propanoic acid
CID 46216498
3-butan-2-yloxy-N'-hydroxypropanimidamide
CID 60904690
N'-hydroxy-3-[2-methylbutyl(2-methylpropyl)amino]propanimidamide
CID 76935617
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dimethylbutanamide
CID 77015678
N'-hydroxy-4-[methyl(2-methylbutyl)amino]butanimidamide
CID 43295873
N-(3-amino-3-hydroxyiminopropyl)-2,3-dimethyl-N-(2-methylpropyl)butanamide
CID 77015683
5-(butan-2-ylamino)-N'-hydroxypentanimidamide
CID 77026529
(2-amino-2-hydroxyiminoethyl)-nonylphosphinic acid
CID 167433591
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methylpentanamide
CID 104982299
3-hydroxyiminobutan-2-yl(propyl)phosphinic acid
CID 169084784
4-ethoxy-N'-hydroxypentanimidamide
CID 89315184

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid?
The IUPAC name of (3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid (CID 167433576) is (3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid.
What is the SMILES notation for (3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid?
The canonical SMILES for (3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid is CCC(C)P(=O)(O)CCC(N)=NO.
What is the InChIKey of (3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid?
The InChIKey is HLKGZCYONWXSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N2O3P/c1-3-6(2)13(11,12)5-4-7(8)9-10/h6,10H,3-5H2,1-2H3,(H2,8,9)(H,11,12).
What are the key properties of (3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid?
(3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid has a molecular weight of 208.20 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-hydroxyiminopropyl)-butan-2-ylphosphinic acid is sourced from PubChem (CID 167433576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).