2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid

C11H18N2O5 — CID 54969400

IUPAC2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CCN1C(=O)CCC1=O)CC(=O)O
InChIInChI=1S/C11H18N2O5/c1-18-7-6-12(8-11(16)17)4-5-13-9(14)2-3-10(13)15/h2-8H2,1H3,(H,16,17)
InChIKeyIPDKWWZPPURHDN-UHFFFAOYSA-N
MW258.27 g/mol
LogP-0.83
Rot. Bonds8

About 2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid

2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 54969400) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid
PubChem CID54969400
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CCN1C(=O)CCC1=O)CC(=O)O
InChIInChI=1S/C11H18N2O5/c1-18-7-6-12(8-11(16)17)4-5-13-9(14)2-3-10(13)15/h2-8H2,1H3,(H,16,17)
InChIKeyIPDKWWZPPURHDN-UHFFFAOYSA-N
XLogP-0.83
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid (CID 54969400) is 2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid is COCCN(CCN1C(=O)CCC1=O)CC(=O)O.
What is the InChIKey of 2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is IPDKWWZPPURHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-18-7-6-12(8-11(16)17)4-5-13-9(14)2-3-10(13)15/h2-8H2,1H3,(H,16,17).
What are the key properties of 2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid?
2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 258.27 g/mol, XLogP of -0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxopyrrolidin-1-yl)ethyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 54969400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).