![2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid structure](/static/products/1230/123000-45-3.webp)
2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid
TL;DR: 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid (CAS 123000-45-3) is a chemical compound with molecular formula C9H13NO5 and molecular weight 215.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid
Also Known As: starbld0005264, 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid, J2.058.432G, 2-((1S,2R,3S)-3-Methyl-2-(nitromethyl)-5-oxocyclopentyl)acetic acid, 2-[3-methyl-2-(nitromethyl)-5-oxo-cyclopentyl]acetic Acid
Technical Specifications
| Molecular Formula | C9H13NO5 |
| Molecular Weight | 215.07938 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.07938 Da |
| Heavy Atoms | 15 |
| Complexity | 295.0 |
| SMILES | C[C@H]1CC(=O)[C@H]([C@@H]1C[N+](=O)[O-])CC(=O)O |
| InChIKey | YPCIKCQPODDZAT-LYFYHCNISA-N |
Chemical Property Profile of 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid
Property Insights of 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid. Following Lipinski's Rule of Five, 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid?
The CAS number of 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid is 123000-45-3.
What is the molecular formula of 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid?
The molecular formula of 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid is C9H13NO5.
What is the molecular weight of 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid?
The molecular weight of 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid is 215.07938 g/mol.
Where can I buy 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid?
You can request a quote for 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(1S,2R,3S)-3-methyl-2-(nitromethyl)-5-oxocyclopentyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.