(alphaS)-3-ethyl-3-(mercaptomethyl)-alpha-methyl-2-oxo-1-pyrrolidineacetic acid

HCID 18600216
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Basic information

Standard SMILES
CCC1(CS)CCN([C@@H](C)C(=O)O)C1=O
InChIKey
IIIFEURGDWBKHR-BYDSUWOYSA-N
Molecular formula
C10H17NO3S
Average molar mass
231.31 g/mol
Monoisotopic mass
231.09291458

Names & identifiers

Preferred name
(alphaS)-3-ethyl-3-(mercaptomethyl)-alpha-methyl-2-oxo-1-pyrrolidineacetic acid
IUPAC
(2S)-2-[3-ethyl-2-oxo-3-(sulfanylmethyl)pyrrolidin-1-yl]propanoic acid

Names & synonyms

SCHEMBL10957765IIIFEURGDWBKHR-BYDSUWOYSA-N(alphaS)-3-ethyl-3-(mercaptomethyl)-alpha-methyl-2-oxo-1-pyrrolidineacetic acid

Database identifiers

PubChem CID
18600216

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
58.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Related reactions

1 records
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Compound notes

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