2039-67-0 Purity
98%+
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Specification
The molecular formula of Azepino[3,2,1-hi]indole-2-carboxylic acid is C28H24N2O5.
Azepino[3,2,1-hi]indole-2-carboxylic acid was created on 2005-07-19 and last modified on 2023-12-30 on PubChem.
Some synonyms for Azepino[3,2,1-hi]indole-2-carboxylic acid are Fmoc-(2S,5S)-5-amino-1,2,4,5,6,7-hexahydroazepino[3,2,1-Hi]indole-4-one-2-carboxylic acid and Fmoc-Haic(2S,5S)-OH.
The molecular weight of Azepino[3,2,1-hi]indole-2-carboxylic acid is 468.5 g/mol.
The IUPAC name of Azepino[3,2,1-hi]indole-2-carboxylic acid is '(2S,11S)-11-(9H-fluoren-9-ylmethoxycarbonylamino)-12-oxo-1-azatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2-carboxylic acid'.
The canonical SMILES representation of Azepino[3,2,1-hi]indole-2-carboxylic acid is 'C1CC2=C3C(=CC=C2)CC(N3C(=O)C1NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)O'.
Azepino[3,2,1-hi]indole-2-carboxylic acid has 2 hydrogen bond donor counts.
The XLogP3-AA value of Azepino[3,2,1-hi]indole-2-carboxylic acid is 4.2.
Azepino[3,2,1-hi]indole-2-carboxylic acid has 5 hydrogen bond acceptor counts.
The topological polar surface area of Azepino[3,2,1-hi]indole-2-carboxylic acid is 95.9 Ų.