acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid

C8H17NO6 — CID 172772523

IUPACacetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
SMILESCC(=O)O.NCCOCCOCC(=O)O
InChIInChI=1S/C6H13NO4.C2H4O2/c7-1-2-10-3-4-11-5-6(8)9;1-2(3)4/h1-5,7H2,(H,8,9);1H3,(H,3,4)
InChIKeyNDQPSCZVFNWULQ-UHFFFAOYSA-N
MW223.22 g/mol
LogP-0.85
Rot. Bonds7

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

acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid (PubChem CID 172772523) has the molecular formula C8H17NO6 and a molecular weight of 223.22 g/mol. Its IUPAC name is acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid.

Molecular Properties

Compound Nameacetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
PubChem CID172772523
Molecular FormulaC8H17NO6
Molecular Weight223.22 g/mol
Exact Mass223.11
IUPAC Nameacetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid
SMILESCC(=O)O.NCCOCCOCC(=O)O
InChIInChI=1S/C6H13NO4.C2H4O2/c7-1-2-10-3-4-11-5-6(8)9;1-2(3)4/h1-5,7H2,(H,8,9);1H3,(H,3,4)
InChIKeyNDQPSCZVFNWULQ-UHFFFAOYSA-N
XLogP-0.85
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid?
The IUPAC name of acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid (CID 172772523) is acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid.
What is the SMILES notation for acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid?
The canonical SMILES for acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid is CC(=O)O.NCCOCCOCC(=O)O.
What is the InChIKey of acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid?
The InChIKey is NDQPSCZVFNWULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4.C2H4O2/c7-1-2-10-3-4-11-5-6(8)9;1-2(3)4/h1-5,7H2,(H,8,9);1H3,(H,3,4).
What are the key properties of acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid?
acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid has a molecular weight of 223.22 g/mol, XLogP of -0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[2-(2-aminoethoxy)ethoxy]acetic acid is sourced from PubChem (CID 172772523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).