TL;DR: 2-[(4-Nitrophenyl)methyl]-D-proline (CAS 1049975-92-9) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.09535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid
Also Known As: 2-[(4-Nitrophenyl)methyl]-D-proline, (2S)-2-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic Acid
| Molecular Formula | C12H14N2O4 |
| Molecular Weight | 250.09535 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.09535 Da |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
| SMILES | C1C[C@](NC1)(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | LNRKMGJPHYUDQH-LBPRGKRZSA-N |
The XLogP value of -0.8 indicates that 2-[(4-Nitrophenyl)methyl]-D-proline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Nitrophenyl)methyl]-D-proline. Following Lipinski's Rule of Five, 2-[(4-Nitrophenyl)methyl]-D-proline has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(4-Nitrophenyl)methyl]-D-proline is 1049975-92-9.
The molecular formula of 2-[(4-Nitrophenyl)methyl]-D-proline is C12H14N2O4.
The molecular weight of 2-[(4-Nitrophenyl)methyl]-D-proline is 250.09535 g/mol.
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