(2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid

C10H23N2O4P — CID 167433564

IUPAC(2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid
SMILESCC(C)CCCCCOP(=O)(O)CC(N)=NO
InChIInChI=1S/C10H23N2O4P/c1-9(2)6-4-3-5-7-16-17(14,15)8-10(11)12-13/h9,13H,3-8H2,1-2H3,(H2,11,12)(H,14,15)
InChIKeyWVMPCISJBZDVGD-UHFFFAOYSA-N
MW266.28 g/mol
LogP2.15
Rot. Bonds9

About (2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid

(2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid (PubChem CID 167433564) has the molecular formula C10H23N2O4P and a molecular weight of 266.28 g/mol. Its IUPAC name is (2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid.

Molecular Properties

Compound Name(2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid
PubChem CID167433564
Molecular FormulaC10H23N2O4P
Molecular Weight266.28 g/mol
Exact Mass266.14
IUPAC Name(2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid
SMILESCC(C)CCCCCOP(=O)(O)CC(N)=NO
InChIInChI=1S/C10H23N2O4P/c1-9(2)6-4-3-5-7-16-17(14,15)8-10(11)12-13/h9,13H,3-8H2,1-2H3,(H2,11,12)(H,14,15)
InChIKeyWVMPCISJBZDVGD-UHFFFAOYSA-N
XLogP2.15
TPSA105.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-amino-2-hydroxyiminoethyl)-hexoxyphosphinic acid
CID 167433583
bis(20-methylhenicosyl) hydrogen phosphate
CID 141458391
bis(12-methyltridecyl) hydrogen phosphate
CID 141458390
[hydroxy(6-methylheptoxy)phosphoryl] 6-methylheptyl hydrogen phosphate
CID 534663
methyl 6-methylheptyl hydrogen phosphate
CID 174422400
bis(10-methylundecyl) hydrogen phosphate;ethane-1,1,1,2,2,2-hexol
CID 175031846
8-methylnonyl diphosphono phosphate
CID 174558463
ethyl 16-methylheptadecyl hydrogen phosphate
CID 174994214
16-methylheptadecyl carbamate
CID 175072884
14-methylpentadecyl carbamate
CID 175375850
6-methylheptoxy 6-methylheptyl hydrogen phosphate
CID 171569206
bis(14-methylpentadecyl) oxalate
CID 88541014

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid?
The IUPAC name of (2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid (CID 167433564) is (2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid.
What is the SMILES notation for (2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid?
The canonical SMILES for (2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid is CC(C)CCCCCOP(=O)(O)CC(N)=NO.
What is the InChIKey of (2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid?
The InChIKey is WVMPCISJBZDVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2O4P/c1-9(2)6-4-3-5-7-16-17(14,15)8-10(11)12-13/h9,13H,3-8H2,1-2H3,(H2,11,12)(H,14,15).
What are the key properties of (2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid?
(2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid has a molecular weight of 266.28 g/mol, XLogP of 2.15, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-hydroxyiminoethyl)-(6-methylheptoxy)phosphinic acid is sourced from PubChem (CID 167433564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).