Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate

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Basic information

CAS: 45012-54-2
Standard SMILES: CSCCC(N)C(=O)OC(C)C
InChIKey: WLUAUPQSKOQURS-UHFFFAOYSA-N
Molecular formula: C8H17NO2S
Average molar mass: 191.29 g/mol
Monoisotopic mass: 191.09799996

Names & identifiers

Preferred name: Propan-2-yl 2-amino-4-(methylsulfanyl)butanoate
IUPAC: propan-2-yl 2-amino-4-methylsulfanylbutanoate

Names & synonyms

dl-methionine isopropyl esterPropan-2-yl 2-amino-4-(methylsulfanyl)butanoate45012-54-2SCHEMBL2925292DTXSID901023505L-Methionine, 1-Methylethyl ester49550-09-6

Database identifiers

CAS: 45012-54-2
PubChem CID: 437594
DTXSID: DTXSID901023505
Nikkaji: J555.534E

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 77.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 12
Formal charge: 0
Complexity: 139

Related reactions

1 records

New reaction record

HRID 2144430As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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