Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc3[nH]c(C(=O)O)cc3c2)CC1- InChIKey
DVMOCRNIXHABJO-UHFFFAOYSA-N- Molecular formula
- C20H25N3O5
- Average molar mass
- 387.4 g/mol
Names & identifiers
- Preferred name
- 5-(4-tert-butoxycarbonyl-[1,4]diazepane-1-carbonyl)-1H-indole-2-carboxylic acid
- IUPAC
- 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-1-carbonyl]-1H-indole-2-carboxylic acid
Names & synonyms
SCHEMBL3166185DVMOCRNIXHABJO-UHFFFAOYSA-N5-(4-tert-butoxycarbonyl-[1,4]diazepane-1-carbonyl)-1H-indole-2-carboxylic acid
Database identifiers
- PubChem CID
- 68535629
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 617
Related reactions
14 records
Compound notes
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