Chem
J-GLOBAL ID：201707021175589457
Nikkaji number：J3.601.980H
(2S,4R)-4β-(2-Carboxyphenoxy)pyrrolidine-2α-carboxylic acid
(2S,4R)-4-(2-カルボキシフェノキシ)ピロリジン-2-カルボン酸
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C12H13NO5
Molecular formula furigana： C12-H13-N-O5
Molecular weight： 251.238
InChI：
InChI=1S/C12H13NO5/c14-11(15)8-3-1-2-4-10(8)18-7-5-9(12(16)17)13-6-7/h1-4,7,9,13H,5-6H2,(H,14,15)(H,16,17)/t7-,9+/m1/s1
InChI key：
XHABYXGKUZQAIW-APPZFPTMSA-N
SMILES：
OC(=O)[C@@H]1C[C@H](CN1)Oc1ccccc1C(=O)O
Systematic name (3)：
- (2S,4R)-4β-(2-カルボキシフェノキシ)ピロリジン-2α-カルボン酸
- (2S,4R)-4-(2-カルボキシフェノキシ)ピロリジン-2-カルボン酸
- (2S,4R)-4-(2-carboxyphenoxy)pyrrolidine-2-carboxylic acid
- (2S,4R)-4β-(2-Carboxyphenoxy)pyrrolidine-2α-carboxylic acid
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