4-Amino-1-methanesulfonyl-1H-pyrrole-2-carboxylic acid ethyl ester

HCID 59639716
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Basic information

Standard SMILES
CCOC(=O)c1cc(N)cn1S(C)(=O)=O
InChIKey
WYWVNBNZNRMUIA-UHFFFAOYSA-N
Molecular formula
C8H12N2O4S
Average molar mass
232.26 g/mol

Names & identifiers

Preferred name
4-Amino-1-methanesulfonyl-1H-pyrrole-2-carboxylic acid ethyl ester
IUPAC
ethyl 4-amino-1-methylsulfonylpyrrole-2-carboxylate

Names & synonyms

4-Amino-1-methanesulfonyl-1H-pyrrole-2-carboxylic acid ethyl ester845868-00-0SCHEMBL5037168WYWVNBNZNRMUIA-UHFFFAOYSA-NDB-316187

Database identifiers

PubChem CID
59639716

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
99.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
15

Related reactions

6 records
New reaction record

Linked notes

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