TL;DR: (2R)-2-[(2E)-3-Phenylprop-2-EN-1-YL]pyrrolidine-2-carboxylic acid hydrochloride (CAS 1049739-31-2) is a chemical compound with molecular formula C14H18ClNO2 and molecular weight 267.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: (R)-alpha-(3-phenyl-allyl)-proline-HCl, (R)-2-Cinnamylpyrrolidine-2-carboxylic acid hydrochloride, (2R)-2-[(2E)-3-PHENYLPROP-2-EN-1-YL]PYRROLIDINE-2-CARBOXYLIC ACID HYDROCHLORIDE
| Molecular Formula | C14H18ClNO2 |
| Molecular Weight | 267.1026 g/mol |
| XLogP | 2.7185 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.1026 Da |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
| SMILES | C1C[C@@](NC1)(CC=CC2=CC=CC=C2)C(=O)O.Cl |
| InChIKey | BPZMLNWVESDERN-UQKRIMTDSA-N |
The XLogP value of 2.7185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-2-[(2E)-3-Phenylprop-2-EN-1-YL]pyrrolidine-2-carboxylic acid hydrochloride. With a topological polar surface area (TPSA) of 49.3 Ų, (2R)-2-[(2E)-3-Phenylprop-2-EN-1-YL]pyrrolidine-2-carboxylic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R)-2-[(2E)-3-Phenylprop-2-EN-1-YL]pyrrolidine-2-carboxylic acid hydrochloride has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2R)-2-[(2E)-3-Phenylprop-2-EN-1-YL]pyrrolidine-2-carboxylic acid hydrochloride is 1049739-31-2.
The molecular formula of (2R)-2-[(2E)-3-Phenylprop-2-EN-1-YL]pyrrolidine-2-carboxylic acid hydrochloride is C14H18ClNO2.
The molecular weight of (2R)-2-[(2E)-3-Phenylprop-2-EN-1-YL]pyrrolidine-2-carboxylic acid hydrochloride is 267.1026 g/mol.
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