5,5-dimethyl-2-[[(2-phenoxyacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic Acid
Basic information
- CAS
4847-29-4- Standard SMILES
CC1(C)SC(CNC(=O)COc2ccccc2)NC1C(=O)O- InChIKey
NABJOXIJXQOSPN-UHFFFAOYSA-N- Molecular formula
- C15H20N2O4S
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.1143783
Names & identifiers
- Preferred name
- 5,5-dimethyl-2-[[(2-phenoxyacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic Acid
- IUPAC
- 5,5-dimethyl-2-[[(2-phenoxyacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic acid
- English name
- Phenoxymethylpenilloic acid
- Molecular formula
- C15H20N2O4S
- Molecular weight
- 324.4
Names & synonyms
4847-29-45,5-Dimethyl-2-((2-phenoxyacetamido)methyl)thiazolidine-4-carboxylic acid5,5-dimethyl-2-[[(2-phenoxyacetyl)amino]methyl]-1,3-thiazolidine-4-carboxylic AcidPHENOXYMETHYLPENILLOIC ACIDPhenoxymethylpenicillin Potassium Impurity F HClDTXSID00400521MFCD02683390AKOS0302421374-Thiazolidinecarboxylicacid, 5,5-dimethyl-2-[[(2-phenoxyacetyl)amino]methyl]-5,5-Dimethyl-2-((2-phenoxyacetamido)methyl)thiazolidine-4-carboxylicacid5,5-dimethyl-2-[(2-phenoxyacetamido)methyl]-1,3-thiazolidine-4-carboxylic acid5,5-dimethyl-2-[[(2-phenoxyacetyl)amino]methyl]thiazolidine-4-carboxylic acid
Show more names
Phenoxymethylpenicillin EP Impurity F5,5-DiMethyl-2-[[(2-phenoxyacetyl)aMino]Methyl]-4-thiazolidinecarboxylic AcidPENILLOIC ACID VPenicillin V impurity?FPenicillin V potassium EP impurity FPhenoxymethylpenilloic Acid (Mixture of Diastereomers)Phenoxymethylpenicillin Impurity 6（Phenoxymethylpenicillin EP Impurity F）4-Thiazolidinecarboxylic acid, 5,5-dimethyl-2-[[(2-phenoxyacetyl)amino]methyl]-5,5-Dimethyl-2-((2-phenoxyacetamido)methyl)thiazolidine-4-carboxylic acid (Penicillin Impurity)
Database identifiers
- CAS
4847-29-4- PubChem CID
- 4188041
- DTXSID
DTXSID00400521
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 410
Physicochemical properties
- Melting point
- 146 · 146-148°C
- Boiling point
- 604.3 · 604.3±55.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Aqueous Base (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.01 · 2.01±0.60(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
UsesA degradation product of Penicillins. A reversible competitive inhibitor of Penicillinase, β-Lactamase 1.
UsesA reversible competitive inhibitor of Penicillinase, Lactamase 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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