3-(((9-Cyano-9,10-dihydro-10-methylacridin-9-YL)carbonyl)amino)propanoic acid
3-[(9-cyano-10-methylacridine-9-carbonyl)amino]propanoic acid
Molecular Identity
3-(((9-Cyano-9,10-dihydro-10-methylacridin-9-YL)carbonyl)amino)propanoic acid
3-[(9-cyano-10-methylacridine-9-carbonyl)amino]propanoic acid
PubChem CID: 446965
3-{[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]amino}propanoic acid is an N-methylated dihydro acridine carrying carbonitrile and N-carboxyethylcarbamoyl substituents at C-9. It has a role as a hapten.
2D Structure
Properties
C19H17N3O3
Molecular Formula
335.40
Molecular Weight
g/mol
335.1270
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
93.4
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
558
Complexity
SMILES
Canonical SMILES
SMILES: CN1C2=CC=CC=C2C(C3=CC=CC=C31)(C#N)C(=O)NCCC(=O)OIsomeric SMILES
SMILES: CN1C2=CC=CC=C2C(C3=CC=CC=C31)(C#N)C(=O)NCCC(=O)OSynonyms(14)
3-{[(9-CYANO-9,10-DIHYDRO-10-METHYLACRIDIN-9-YL)CARBONYL]AMINO}PROPANOIC ACID3-(((9-Cyano-9,10-dihydro-10-methylacridin-9-YL)carbonyl)amino)propanoic acidRefChem:487963CHEBI:409403-[(9-cyano-10-methylacridine-9-carbonyl)amino]propanoic acid3-{[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]amino}propanoic acidEpitope ID:164056BC1SCHEMBL23752145DB07441PD005182NS00068972Q27096660N-[(9-cyano-10-methyl-9,10-dihydroacridin-9-yl)carbonyl]-beta-alanine
Data from PubChem (NCBI)
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Molecular Structure
3-(((9-Cyano-9,10-dihydro-10-methylacridin-9-YL)carbonyl)amino)propanoic acid
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Drug Network
Trials and conditions connected to 3-(((9-Cyano-9,10-dihydro-10-methylacridin-9-YL)carbonyl)amino)propanoic acid
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