Basic information
- CAS
482373-26-2- Standard SMILES
N[C@]1(C(=O)O)[C@H]2C[C@H]3[C@@H]1[C@@]3(C(=O)O)C2- InChIKey
KETJIAAJBCULKI-DPPUOXHASA-N- Molecular formula
- C9H11NO4
- Average molar mass
- 197.19 g/mol
Names & identifiers
- Preferred name
- Way-855
- IUPAC
- (1R,2R,3R,4S,6S)-3-aminotricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid
- English name
- Tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid, 3-amino-, (1R,2R,3R,4S,6S)-
- Molecular formula
- C9H11NO4
- Molecular weight
- 197.19
Names & synonyms
WAY-855(1R,2R,3R,4S,6S)-3-aminotricyclo[2.2.1.0^{2,6}]heptane-1,3-dicarboxylic acid(1R,2R,3R,4S,6S)-3-aminotricyclo(2.2.1.0^(2,6))heptane-1,3-dicarboxylic acidRefChem:934184482373-29-5CHEMBL5420218(1R,2R,3R,4S,6S)-3-Aminotricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acidWAY 855GTPL5327orb1698975KETJIAAJBCULKI-DPPUOXHASA-NBDBM50632381
Show more names
Tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid, 3-amino-, (1R,2R,3R,4S,6S)-Tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid, 3-amino-, (1R,2R,3R,4S,6S)- (9CI)
AKOS040749788CS-0106596T29153Q27089220(1R*,2R*,3R*,4S*,6S*)-3-Amino-tricyclo[2.2.1.02,6]heptane-1,3-dicarboxylic acid
Database identifiers
- CAS
482373-26-2- ChEMBL
CHEMBL5420218- Nikkaji
- J2.105.694D
Properties
Computed structural properties
- XLogP
- -3.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 368
Physicochemical properties
- Boiling point
- 388.178 · 388.178±32.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.769 · 1.769±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.003 · 2.003±0.40(predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…