2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate

C10H14N2O5 — CID 19880625

IUPAC2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate
SMILESNCC(=O)OCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O5/c11-7-10(15)17-6-5-16-4-3-12-8(13)1-2-9(12)14/h1-2H,3-7,11H2
InChIKeyUGQHZYFEAASBJT-UHFFFAOYSA-N
MW242.23 g/mol
LogP-1.57
Rot. Bonds7

About 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate

2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate (PubChem CID 19880625) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate.

Molecular Properties

Compound Name2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate
PubChem CID19880625
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate
SMILESNCC(=O)OCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H14N2O5/c11-7-10(15)17-6-5-16-4-3-12-8(13)1-2-9(12)14/h1-2H,3-7,11H2
InChIKeyUGQHZYFEAASBJT-UHFFFAOYSA-N
XLogP-1.57
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
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-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate?
The IUPAC name of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate (CID 19880625) is 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate.
What is the SMILES notation for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate?
The canonical SMILES for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate is NCC(=O)OCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate?
The InChIKey is UGQHZYFEAASBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c11-7-10(15)17-6-5-16-4-3-12-8(13)1-2-9(12)14/h1-2H,3-7,11H2.
What are the key properties of 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate?
2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate has a molecular weight of 242.23 g/mol, XLogP of -1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl 2-aminoacetate is sourced from PubChem (CID 19880625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).