Basic information
- Standard SMILES
COC(=O)CCc1ccc2c(c1)CC1CCC(C2)C1NC(=O)OC(C)(C)C- InChIKey
MBFYGVRQKPNKAV-UHFFFAOYSA-N- Molecular formula
- C22H31NO4
- Average molar mass
- 373.5 g/mol
- Monoisotopic mass
- 373.22530847
Names & identifiers
- Preferred name
- 3-(13-tert-Butoxycarbonylamino-tricyclo-[8.2.1.03,8]trideca-3(8),4,6-trien-5-yl)-propionic acid methyl ester
- IUPAC
- methyl 3-[13-[(2-methylpropan-2-yl)oxycarbonylamino]-5-tricyclo[8.2.1.03,8]trideca-3(8),4,6-trienyl]propanoate
Names & synonyms
SCHEMBL6106975MBFYGVRQKPNKAV-UHFFFAOYSA-N3-(13-tert-Butoxycarbonylamino-tricyclo-[8.2.1.03,8]trideca-3(8),4,6-trien-5-yl)-propionic acid methyl ester
Database identifiers
- PubChem CID
- 69666459
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 541
Related reactions
4 records
Compound notes
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