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3-[5'-(4-chlorophenyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoic acid

HCID 4889950
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Basic information

CAS
1217780-43-2
Standard SMILES
O=C(O)CCC1NC2(C(=O)Nc3ccccc32)C2C(=O)N(c3ccc(Cl)cc3)C(=O)C12
InChIKey
LGEIMNNDBQRHJD-UHFFFAOYSA-N
Molecular formula
C22H18ClN3O5
Average molar mass
439.8 g/mol
Monoisotopic mass
439.0934984

Names & identifiers

Preferred name
3-[5'-(4-chlorophenyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoic acid
IUPAC
3-[5-(4-chlorophenyl)-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl]propanoic acid

Names & synonyms

STL051539AKOS0057049203-[5'-(4-chlorophenyl)-2,4',6'-trioxo-1,2,3',3a',4',5',6',6a'-octahydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-3'-yl]propanoic acid

Database identifiers

CAS
1217780-43-2
PubChem CID
4889950

Properties

Computed structural properties

XLogP
-1.1
Topological polar surface area
116 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
31
Formal charge
0
Complexity
813

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