(2-Amino-2-oxoethyl) 1,2,3,4-tetrahydroacridine-9-carboxylate
Basic information
- CAS
481691-01-4- Standard SMILES
NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2- InChIKey
PYWRPNGUNDGPDU-UHFFFAOYSA-N- Molecular formula
- C16H16N2O3
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.11609238
Names & identifiers
- Preferred name
- (2-Amino-2-oxoethyl) 1,2,3,4-tetrahydroacridine-9-carboxylate
- IUPAC
- (2-amino-2-oxoethyl) 1,2,3,4-tetrahydroacridine-9-carboxylate
Names & synonyms
(2-amino-2-oxoethyl) 1,2,3,4-tetrahydroacridine-9-carboxylateOprea1_427237Oprea1_465121MLS001033038CHEMBL1559265DTXSID501327757HMS2708N19AKOS002504388481691-01-4SMR000385476SR-01000040070SR-01000040070-1
Show more names
Z196904362-Amino-2-oxoethyl 1,2,3,4-tetrahydroacridine-9-carboxylate
Database identifiers
- CAS
481691-01-4- PubChem CID
- 4535474
- DTXSID
DTXSID501327757- ChEMBL
CHEMBL1559265
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 412
Experimental & physicochemical properties
Solubility39.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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