2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid
Basic information
- CAS
7473-14-5- Standard SMILES
CCOC(=O)c1[nH]c(CC(=O)O)c(C(=O)O)c1C- InChIKey
GNTIXMATRBQDSA-UHFFFAOYSA-N- Molecular formula
- C11H13NO6
- Average molar mass
- 255.22 g/mol
- Monoisotopic mass
- 255.07428713
Names & identifiers
- Preferred name
- 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid
- IUPAC
- 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid
Names & synonyms
7473-14-52-(Carboxymethyl)-5-(ethoxycarbonyl)-4-methyl-1H-pyrrole-3-carboxylic acidNSC4002382-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acidDTXSID70322024NSC-400238
Database identifiers
- CAS
7473-14-5- PubChem CID
- 343754
- DTXSID
DTXSID70322024
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 355
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