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Ethyl 3-amino-2,5-dioxopyrrolidine-3-carboxylate

HCID 19785423
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
147194-11-4
Standard SMILES
CCOC(=O)C1(N)CC(=O)NC1=O
InChIKey
PJMURKYAHVPDLH-UHFFFAOYSA-N
Molecular formula
C7H10N2O4
Average molar mass
186.17 g/mol
Monoisotopic mass
186.0640568

Names & identifiers

Preferred name
Ethyl 3-amino-2,5-dioxopyrrolidine-3-carboxylate
IUPAC
ethyl 3-amino-2,5-dioxopyrrolidine-3-carboxylate

Names & synonyms

ethyl 3-amino-2,5-dioxopyrrolidine-3-carboxylate147194-11-4SCHEMBL560921PJMURKYAHVPDLH-UHFFFAOYSA-NDTXSID301239035Ethyl 3-amino-2,5-dioxo-3-pyrrolidinecarboxylateethyl 3-amino-2,5-dioxo-pyrrolidine-3-carboxylate

Database identifiers

CAS
147194-11-4
PubChem CID
19785423
DTXSID
DTXSID301239035

Properties

Computed structural propertiesFilling in

XLogP
-1.6
Topological polar surface area
98.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
13
Formal charge
0
Complexity
276

Related reactions

5 records
New reaction record
HRID 822558 reaction equation
HRID 822558As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1675930 reaction equation
HRID 1675930As productuspto-grants-2011_08
HRID 1675934 reaction equation
HRID 1675934As productuspto-grants-2011_08
HRID 1943005 reaction equation
HRID 1943005As productuspto-grants-2013_03
HRID 1943009 reaction equation
HRID 1943009As productuspto-grants-2013_03

Compound notes

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