Completing data — usually done within a minute
Basic information
- CAS
123986-66-3- Standard SMILES
CC(C)(C)OC(=O)Nc1cccc(C(=O)OCC#N)c1- InChIKey
IITIRQOPOMSWFO-UHFFFAOYSA-N- Molecular formula
- C14H16N2O4
- Average molar mass
- 276.29 g/mol
- Monoisotopic mass
- 276.11100699
Names & identifiers
- Preferred name
- Cyanomethyl 3-(t-butyloxycarbonylamino)benzoate
- IUPAC
- cyanomethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
Names & synonyms
cyanomethyl 3-(t-butyloxycarbonylamino)benzoateSCHEMBL7432597IITIRQOPOMSWFO-UHFFFAOYSA-NDTXSID201188792123986-66-3cyanomethyl 3-(t-butyloxy-carbonylamino)benzoateCyanomethyl 3-(t-butyloxycarbonylamino)-benzoateCyanomethyl 3-[(tert-butoxycarbonyl)amino]benzoateCyanomethyl 3-[[(1,1-dimethylethoxy)carbonyl]amino]benzoate
Database identifiers
- CAS
123986-66-3- PubChem CID
- 8520682
- DTXSID
DTXSID201188792
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 405
Related reactions
7 records
Compound notes
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