2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione

C25H48N2O15 — CID 161221419

IUPAC2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione
SMILESNCCOCCOCCOCCO.O=C(O)COCC(=O)NCCOCCOCCOCCO.O=C1CCCC(=O)O1
InChIInChI=1S/C12H23NO8.C8H19NO4.C5H6O3/c14-2-4-19-6-8-20-7-5-18-3-1-13-11(15)9-21-10-12(16)17;9-1-3-11-5-7-13-8-6-12-4-2-10;6-4-2-1-3-5(7)8-4/h14H,1-10H2,(H,13,15)(H,16,17);10H,1-9H2;1-3H2
InChIKeyUXOGLILCSRTQHG-UHFFFAOYSA-N
MW616.66 g/mol
LogP-2.53
Rot. Bonds25

About 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione

2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione (PubChem CID 161221419) has the molecular formula C25H48N2O15 and a molecular weight of 616.66 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione.

Molecular Properties

Compound Name2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione
PubChem CID161221419
Molecular FormulaC25H48N2O15
Molecular Weight616.66 g/mol
Exact Mass616.31
IUPAC Name2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione
SMILESNCCOCCOCCOCCO.O=C(O)COCC(=O)NCCOCCOCCOCCO.O=C1CCCC(=O)O1
InChIInChI=1S/C12H23NO8.C8H19NO4.C5H6O3/c14-2-4-19-6-8-20-7-5-18-3-1-13-11(15)9-21-10-12(16)17;9-1-3-11-5-7-13-8-6-12-4-2-10;6-4-2-1-3-5(7)8-4/h14H,1-10H2,(H,13,15)(H,16,17);10H,1-9H2;1-3H2
InChIKeyUXOGLILCSRTQHG-UHFFFAOYSA-N
XLogP-2.53
TPSA240.86 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds25
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.66
LogP ≤ 5-2.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione?
The IUPAC name of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione (CID 161221419) is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione.
What is the SMILES notation for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione?
The canonical SMILES for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione is NCCOCCOCCOCCO.O=C(O)COCC(=O)NCCOCCOCCOCCO.O=C1CCCC(=O)O1.
What is the InChIKey of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione?
The InChIKey is UXOGLILCSRTQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO8.C8H19NO4.C5H6O3/c14-2-4-19-6-8-20-7-5-18-3-1-13-11(15)9-21-10-12(16)17;9-1-3-11-5-7-13-8-6-12-4-2-10;6-4-2-1-3-5(7)8-4/h14H,1-10H2,(H,13,15)(H,16,17);10H,1-9H2;1-3H2.
What are the key properties of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione?
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione has a molecular weight of 616.66 g/mol, XLogP of -2.53, 25 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]acetic acid;oxane-2,6-dione is sourced from PubChem (CID 161221419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).