ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate

C13H20N2O5 — CID 61021499

IUPACethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C13H20N2O5/c1-3-14(9-13(19)20-4-2)10(16)7-8-15-11(17)5-6-12(15)18/h3-9H2,1-2H3
InChIKeyFVEPGZCYMWKALV-UHFFFAOYSA-N
MW284.31 g/mol
LogP-0.06
Rot. Bonds7

About ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate

ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate (PubChem CID 61021499) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate
PubChem CID61021499
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Nameethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)CCN1C(=O)CCC1=O
InChIInChI=1S/C13H20N2O5/c1-3-14(9-13(19)20-4-2)10(16)7-8-15-11(17)5-6-12(15)18/h3-9H2,1-2H3
InChIKeyFVEPGZCYMWKALV-UHFFFAOYSA-N
XLogP-0.06
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
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 ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate?
The IUPAC name of ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate (CID 61021499) is ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate?
The canonical SMILES for ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)CCN1C(=O)CCC1=O.
What is the InChIKey of ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate?
The InChIKey is FVEPGZCYMWKALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-3-14(9-13(19)20-4-2)10(16)7-8-15-11(17)5-6-12(15)18/h3-9H2,1-2H3.
What are the key properties of ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate?
ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate has a molecular weight of 284.31 g/mol, XLogP of -0.06, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2,5-dioxopyrrolidin-1-yl)propanoyl-ethylamino]acetate is sourced from PubChem (CID 61021499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).