2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate

C7H16NO7P — CID 142425396

IUPAC2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate
SMILESCOOP(=O)(OCCN)OCCOC(C)=O
InChIInChI=1S/C7H16NO7P/c1-7(9)12-5-6-14-16(10,15-11-2)13-4-3-8/h3-6,8H2,1-2H3
InChIKeyJONLBXQJHKOFBP-UHFFFAOYSA-N
MW257.18 g/mol
LogP0.23
Rot. Bonds9

About 2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate

2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate (PubChem CID 142425396) has the molecular formula C7H16NO7P and a molecular weight of 257.18 g/mol. Its IUPAC name is 2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate.

Molecular Properties

Compound Name2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate
PubChem CID142425396
Molecular FormulaC7H16NO7P
Molecular Weight257.18 g/mol
Exact Mass257.07
IUPAC Name2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate
SMILESCOOP(=O)(OCCN)OCCOC(C)=O
InChIInChI=1S/C7H16NO7P/c1-7(9)12-5-6-14-16(10,15-11-2)13-4-3-8/h3-6,8H2,1-2H3
InChIKeyJONLBXQJHKOFBP-UHFFFAOYSA-N
XLogP0.23
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-aminoethyl 2-methoxyethyl hydrogen phosphate
CID 59087649
cyclopropane;2-methoxyethyl acetate
CID 69413766
2-hydroxyethyl acetate;2-methoxyethyl acetate
CID 159506787
methane;4-methoxybutyl acetate
CID 160669604
2-[2-(2-aminoethoxy)ethoxy]ethyl dimethyl phosphate
CID 147848914
acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper
CID 139211800
amino bis(2-aminoethyl) phosphate
CID 175047381
2-acetyloxyethyl 3-aminopropanoate
CID 22321345
2-[2-aminoethoxy(hydroxy)phosphoryl]oxyethyl 2-methylpropanoate
CID 126647188
2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl methoxy methyl phosphate;ethane
CID 156747378
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate?
The IUPAC name of 2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate (CID 142425396) is 2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate.
What is the SMILES notation for 2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate?
The canonical SMILES for 2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate is COOP(=O)(OCCN)OCCOC(C)=O.
What is the InChIKey of 2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate?
The InChIKey is JONLBXQJHKOFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16NO7P/c1-7(9)12-5-6-14-16(10,15-11-2)13-4-3-8/h3-6,8H2,1-2H3.
What are the key properties of 2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate?
2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate has a molecular weight of 257.18 g/mol, XLogP of 0.23, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethoxy(methylperoxy)phosphoryl]oxyethyl acetate is sourced from PubChem (CID 142425396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).