Basic information
- CAS
7251-64-1- Standard SMILES
CSCCC(NC(=O)CCC(=O)O)C(=O)O- InChIKey
CZFFMUMOBDIXJU-UHFFFAOYSA-N- Molecular formula
- C9H15NO5S
- Average molar mass
- 249.29 g/mol
Names & identifiers
- Preferred name
- N-(3-Carboxy-1-oxopropyl)-DL-methionine
- IUPAC
- 2-(3-carboxypropanoylamino)-4-methylsulfanylbutanoic acid
- English name
- N-(3-carboxy-1-oxopropyl)-DL-methionine
- Molecular formula
- C9H15NO5S
- Molecular weight
- 249.29
Names & synonyms
N-(3-Carboxy-1-oxopropyl)-DL-methionine78306-53-3EINECS 278-893-32-(3-carboxypropanoylamino)-4-methylsulfanylbutanoic acid7251-64-1NCIOpen2_002943DTXSID70999659CZFFMUMOBDIXJU-UHFFFAOYSA-NNSC65655NSC-65655AKOS003304333ST107155
Show more names
Methionine, N-(3-carboxy-1-oxopropyl)-(±)-N-(3-Carboxy-1-oxopropyl)methionine2-(3-Carboxy-propionylamino)-4-methylsulfanyl-butyric acid
ST45102558N-(3-Carboxy-1-hydroxypropylidene)methionine2-(3-carboxypropanoylamino)-4-methylthiobutanoic acid
Database identifiers
- CAS
7251-64-1、78306-53-3- PubChem CID
- 248487
- DTXSID
DTXSID70999659- EC Number
- 278-893-3
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Physicochemical properties
- Boiling point
- 592.1 · 592.1±50.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
- pka
- 3.34 · 3.34±0.10(Predicted)
Chemistry & industry
Suppliers2 total
OTAVA-BB[email protected]
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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