(2S,4S)-4-Amino-1-isobutyl-pyrrolidine-2-carboxylic acid ethyl ester

HCID 89776131
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Basic information

Standard SMILES
CCOC(=O)[C@@H]1C[C@H](N)CN1CC(C)C
InChIKey
HTWFMRWIMYKEMH-UWVGGRQHSA-N
Molecular formula
C11H22N2O2
Average molar mass
214.3 g/mol
Monoisotopic mass
214.16812795

Names & identifiers

Preferred name
(2S,4S)-4-Amino-1-isobutyl-pyrrolidine-2-carboxylic acid ethyl ester
IUPAC
ethyl (2S,4S)-4-amino-1-(2-methylpropyl)pyrrolidine-2-carboxylate

Names & synonyms

SCHEMBL15221357HTWFMRWIMYKEMH-UWVGGRQHSA-N(2S,4S)-4-Amino-1-isobutyl-pyrrolidine-2-carboxylic acid ethyl ester

Database identifiers

PubChem CID
89776131

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
55.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
15

Related reactions

4 records
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Compound notes

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