5-(3-tert-Butoxycarbonylamino-prop-1-ynyl)-thiophene-2-carboxylic Acid Methyl Ester

HCID 54075339

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

Related reactions

22 records

Linked notes

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