Basic information
- Standard SMILES
COC(=O)c1cccc2c1CC(NC(=O)OC(C)(C)C)C2- InChIKey
NBLGWBFNARAQST-UHFFFAOYSA-N- Molecular formula
- C16H21NO4
- Average molar mass
- 291.34 g/mol
- Monoisotopic mass
- 291.14705815
Names & identifiers
- Preferred name
- 2-(Tert-butoxycarbonylamino)-4-methoxycarbonylindan
- IUPAC
- methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate
Names & synonyms
SCHEMBL6642935NBLGWBFNARAQST-UHFFFAOYSA-N2-(tert-butoxycarbonylamino)-4-methoxycarbonylindan
Database identifiers
- PubChem CID
- 22719600
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Related reactions
3 records
Compound notes
Loading…