TL;DR: N-(1-Methyl-2-pyrrolidinylidene)-L-cysteine (CAS 105099-10-3) is a chemical compound with molecular formula C8H14N2O2S and molecular weight 202.0776 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-[(1-methylpyrrolidin-2-ylidene)amino]-3-sulfanylpropanoic acid
Also Known As: N-(1-Methyl-2-pyrrolidinylidene)-L-cysteine, L-Cysteine, N-(1-methyl-2-pyrrolidinylidene)-, 1-Methyl-2-(N-1-carboxy-2-mercaptoethylimino)pyrrolidine, L-Cysteine,N-(1-methyl-2-pyrrolidinylidene)-, (R)-3-Mercapto-2-((1-methylpyrrolidin-2-ylidene)amino)propanoic acid
| Molecular Formula | C8H14N2O2S |
| Molecular Weight | 202.0776 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 53.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 202.0776 Da |
| Heavy Atoms | 13 |
| Complexity | 230.0 |
| SMILES | CN1CCCC1=N[C@@H](CS)C(=O)O |
| InChIKey | JOHFGHFMCBDDPF-LURJTMIESA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-Methyl-2-pyrrolidinylidene)-L-cysteine. With a topological polar surface area (TPSA) of 53.9 Ų, N-(1-Methyl-2-pyrrolidinylidene)-L-cysteine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-Methyl-2-pyrrolidinylidene)-L-cysteine has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-(1-Methyl-2-pyrrolidinylidene)-L-cysteine is 105099-10-3.
The molecular formula of N-(1-Methyl-2-pyrrolidinylidene)-L-cysteine is C8H14N2O2S.
The molecular weight of N-(1-Methyl-2-pyrrolidinylidene)-L-cysteine is 202.0776 g/mol.
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