4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid

C10H20N2O5 — CID 6605253

IUPAC4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid
SMILESNCCOCCOCCNC(=O)CCC(=O)O
InChIInChI=1S/C10H20N2O5/c11-3-5-16-7-8-17-6-4-12-9(13)1-2-10(14)15/h1-8,11H2,(H,12,13)(H,14,15)
InChIKeyLUPXDQJIRNECJN-UHFFFAOYSA-N
MW248.28 g/mol
LogP-1.04
Rot. Bonds11

About 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid

4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid (PubChem CID 6605253) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid
PubChem CID6605253
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid
SMILESNCCOCCOCCNC(=O)CCC(=O)O
InChIInChI=1S/C10H20N2O5/c11-3-5-16-7-8-17-6-4-12-9(13)1-2-10(14)15/h1-8,11H2,(H,12,13)(H,14,15)
InChIKeyLUPXDQJIRNECJN-UHFFFAOYSA-N
XLogP-1.04
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-1.04
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 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid (CID 6605253) is 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid is NCCOCCOCCNC(=O)CCC(=O)O.
What is the InChIKey of 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid?
The InChIKey is LUPXDQJIRNECJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c11-3-5-16-7-8-17-6-4-12-9(13)1-2-10(14)15/h1-8,11H2,(H,12,13)(H,14,15).
What are the key properties of 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid?
4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid has a molecular weight of 248.28 g/mol, XLogP of -1.04, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 6605253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).