2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane

C13H28N2O7 — CID 172598015

IUPAC2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane
SMILESCOC.NCCOCCOCCOCCC(=O)NCC(=O)O
InChIInChI=1S/C11H22N2O6.C2H6O/c12-2-4-18-6-8-19-7-5-17-3-1-10(14)13-9-11(15)16;1-3-2/h1-9,12H2,(H,13,14)(H,15,16);1-2H3
InChIKeyBDVTZGMXTURTTD-UHFFFAOYSA-N
MW324.37 g/mol
LogP-1.15
Rot. Bonds13

About 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane

2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane (PubChem CID 172598015) has the molecular formula C13H28N2O7 and a molecular weight of 324.37 g/mol. Its IUPAC name is 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane.

Molecular Properties

Compound Name2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane
PubChem CID172598015
Molecular FormulaC13H28N2O7
Molecular Weight324.37 g/mol
Exact Mass324.19
IUPAC Name2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane
SMILESCOC.NCCOCCOCCOCCC(=O)NCC(=O)O
InChIInChI=1S/C11H22N2O6.C2H6O/c12-2-4-18-6-8-19-7-5-17-3-1-10(14)13-9-11(15)16;1-3-2/h1-9,12H2,(H,13,14)(H,15,16);1-2H3
InChIKeyBDVTZGMXTURTTD-UHFFFAOYSA-N
XLogP-1.15
TPSA129.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-N-ethylpropanamide;ethanamine
CID 158863461
2-[[2-(3-propoxypropanoylamino)acetyl]amino]acetic acid
CID 62686785
3-(2-aminoethoxy)-N-ethylpropanamide
CID 62343432
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-propylpropanamide
CID 176761961
3-(2-aminoethoxy)-N-[2-(2-methylpropylamino)-2-oxoethyl]propanamide
CID 112739073
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 119058379
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 53433573
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 122361149
3-[2-(2-aminoethoxy)ethoxy]-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]propanamide
CID 145049533
3-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-N-butylpropanamide
CID 171850519
3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide
CID 126480543
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanehydrazide
CID 126651556

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane?
The IUPAC name of 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane (CID 172598015) is 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane.
What is the SMILES notation for 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane?
The canonical SMILES for 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane is COC.NCCOCCOCCOCCC(=O)NCC(=O)O.
What is the InChIKey of 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane?
The InChIKey is BDVTZGMXTURTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6.C2H6O/c12-2-4-18-6-8-19-7-5-17-3-1-10(14)13-9-11(15)16;1-3-2/h1-9,12H2,(H,13,14)(H,15,16);1-2H3.
What are the key properties of 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane?
2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane has a molecular weight of 324.37 g/mol, XLogP of -1.15, 13 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]acetic acid;methoxymethane is sourced from PubChem (CID 172598015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).