2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione

C10H16N2O6 — CID 175014201

IUPAC2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione
SMILESNCCOCCOCC(=O)O.O=C1C=CC(=O)N1
InChIInChI=1S/C6H13NO4.C4H3NO2/c7-1-2-10-3-4-11-5-6(8)9;6-3-1-2-4(7)5-3/h1-5,7H2,(H,8,9);1-2H,(H,5,6,7)
InChIKeySPTNNXVUNZXEMM-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.74
Rot. Bonds7

About 2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione

2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione (PubChem CID 175014201) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione.

Molecular Properties

Compound Name2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione
PubChem CID175014201
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione
SMILESNCCOCCOCC(=O)O.O=C1C=CC(=O)N1
InChIInChI=1S/C6H13NO4.C4H3NO2/c7-1-2-10-3-4-11-5-6(8)9;6-3-1-2-4(7)5-3/h1-5,7H2,(H,8,9);1-2H,(H,5,6,7)
InChIKeySPTNNXVUNZXEMM-UHFFFAOYSA-N
XLogP-1.74
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione?
The IUPAC name of 2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione (CID 175014201) is 2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione.
What is the SMILES notation for 2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione?
The canonical SMILES for 2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione is NCCOCCOCC(=O)O.O=C1C=CC(=O)N1.
What is the InChIKey of 2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione?
The InChIKey is SPTNNXVUNZXEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4.C4H3NO2/c7-1-2-10-3-4-11-5-6(8)9;6-3-1-2-4(7)5-3/h1-5,7H2,(H,8,9);1-2H,(H,5,6,7).
What are the key properties of 2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione?
2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione has a molecular weight of 260.25 g/mol, XLogP of -1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethoxy)ethoxy]acetic acid;pyrrole-2,5-dione is sourced from PubChem (CID 175014201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).