Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1ccc(CCCN)s1- InChIKey
PIIJCFYSZNUDFZ-UHFFFAOYSA-N- Molecular formula
- C12H19NO2S
- Average molar mass
- 241.35 g/mol
- Monoisotopic mass
- 241.11365002
Names & identifiers
- Preferred name
- 5-(3-Amino-propyl)-thiophene-2-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 5-(3-aminopropyl)thiophene-2-carboxylate
Names & synonyms
SCHEMBL5050275PIIJCFYSZNUDFZ-UHFFFAOYSA-N5-(3-Amino-propyl)-thiophene-2-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 54190751
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 238
Related reactions
5 records
Compound notes
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