| Name: | 5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid |
| Synonyms: | 5-Oxo-D-proline;D-Pyroglutamic acid;D-5-Pyrrolidone-2-carboxylic acid;4042-36-8;C02237;(2S)-5-oxopyrrolidine-2-carboxylic acid;HMDB00805;;Pyrrolidonecarboxylic acid;(+)-2-Pyrrolidone-5-carboxylate;(+)-2-Pyrrolidone-5-carboxylic acid;(+)-Pyroglutamate;(+)-Pyroglutamic acid;(2R)-2-Carboxy-5-pyrrolidinone;(R)-(+)-2-Pyrrolidone-5-carboxylate;(R)-(+)-2-Pyrrolidone-5-carboxylic acid;(R)-2-Pyrrolidone-5-carboxylate;(R)-2-Pyrrolidone-5-carboxylic acid;(R)-5-Oxopyrrolidine-2-carboxylate;(R)-5-Oxopyrrolidine-2-carboxylic acid;D-2-Pyrrolidone-5-carboxylic;D-5-Pyrrolidone-2-carboxylate;D-Pyroglutamate;Pyrrolidonecarboxylate;(2R)-5-oxopyrrolidine-2-carboxylic acid |
| Molecular Weight: | 129.11398 |
| Formula: | C5H7NO3 |
| CAS: | 4042-36-8 |
| Isomeric SMILES: | C1CC(=O)N[C@H]1C(=O)O |
| Canonical SMILES: | C1CC(=O)NC1C(=O)O |
| InChI: | InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m1/s1 |
| Experimental Water Solubility: | 736 mg/mL [HMP experimental] |
| Predicted Water Solubility: | 151 mg/mL [Predicted by ALOGPS] |
| Experimental LogP(octanol-water): | |
| Predicted LogP(octanol-water): | -1.01 [Predicted by ALOGPS]; -3 [Predicted by PubChem via XLOGP]; -0.72 [MEYLAN,WM & HOWARD,PH (1995)] |
