Basic information
- Standard SMILES
COC(=O)c1ccc(C#CCNC(=O)OC(C)(C)C)s1- InChIKey
MJHCQHAKVINDAH-UHFFFAOYSA-N- Molecular formula
- C14H17NO4S
- Average molar mass
- 295.36 g/mol
Names & identifiers
- Preferred name
- 5-(3-tert-Butoxycarbonylamino-prop-1-ynyl)-thiophene-2-carboxylic Acid Methyl Ester
- IUPAC
- methyl 5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-ynyl]thiophene-2-carboxylate
Names & synonyms
5-(3-tert-Butoxycarbonylamino-prop-1-ynyl)-thiophene-2-carboxylic Acid Methyl EsterSCHEMBL5043397MJHCQHAKVINDAH-UHFFFAOYSA-N210115-31-4DB-2191305-(3-tert-butoxycarbonylamino-1-prop-1-ynyl)-thiophene-2-carboxylic acid methyl ester5-(3-tert-Butoxycarbonylamino-prop-1 ynyl)-thiophene-2-carboxylic acid methyl ester5-(3-tert-Butoxycarbonylamino-prop-1-vnyl)-thiophene-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 54075339
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
Related reactions
22 records
Linked notes
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