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;pyrrolidine-2,5-dione

C31H60N2O16 — CID 142619725

IUPAC3-[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;pyrrolidine-2,5-dione
SMILESNCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O.O=C1CCC(=O)N1
InChIInChI=1S/C27H55NO14.C4H5NO2/c28-2-4-32-6-8-34-10-12-36-14-16-38-18-20-40-22-24-42-26-25-41-23-21-39-19-17-37-15-13-35-11-9-33-7-5-31-3-1-27(29)30;6-3-1-2-4(7)5-3/h1-26,28H2,(H,29,30);1-2H2,(H,5,6,7)
InChIKeyQUWIVVCZVSOKBD-UHFFFAOYSA-N
MW716.82 g/mol
LogP-0.96
Rot. Bonds38

About 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;pyrrolidine-2,5-dione

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;pyrrolidine-2,5-dione (PubChem CID 142619725) has the molecular formula C31H60N2O16 and a molecular weight of 716.82 g/mol. Its IUPAC name is 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;pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[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;pyrrolidine-2,5-dione
PubChem CID142619725
Molecular FormulaC31H60N2O16
Molecular Weight716.82 g/mol
Exact Mass716.39
IUPAC Name3-[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;pyrrolidine-2,5-dione
SMILESNCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O.O=C1CCC(=O)N1
InChIInChI=1S/C27H55NO14.C4H5NO2/c28-2-4-32-6-8-34-10-12-36-14-16-38-18-20-40-22-24-42-26-25-41-23-21-39-19-17-37-15-13-35-11-9-33-7-5-31-3-1-27(29)30;6-3-1-2-4(7)5-3/h1-26,28H2,(H,29,30);1-2H2,(H,5,6,7)
InChIKeyQUWIVVCZVSOKBD-UHFFFAOYSA-N
XLogP-0.96
TPSA220.25 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds38
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.82
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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;pyrrolidine-2,5-dione?
The IUPAC name of 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;pyrrolidine-2,5-dione (CID 142619725) is 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;pyrrolidine-2,5-dione.
What is the SMILES notation for 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;pyrrolidine-2,5-dione?
The canonical SMILES for 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;pyrrolidine-2,5-dione is NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O.O=C1CCC(=O)N1.
What is the InChIKey of 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;pyrrolidine-2,5-dione?
The InChIKey is QUWIVVCZVSOKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55NO14.C4H5NO2/c28-2-4-32-6-8-34-10-12-36-14-16-38-18-20-40-22-24-42-26-25-41-23-21-39-19-17-37-15-13-35-11-9-33-7-5-31-3-1-27(29)30;6-3-1-2-4(7)5-3/h1-26,28H2,(H,29,30);1-2H2,(H,5,6,7).
What are the key properties of 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;pyrrolidine-2,5-dione?
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;pyrrolidine-2,5-dione has a molecular weight of 716.82 g/mol, XLogP of -0.96, 38 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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;pyrrolidine-2,5-dione is sourced from PubChem (CID 142619725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).