1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-
TL;DR: 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- (CAS 110998-16-8) is a chemical compound with molecular formula C11H19NO3 and molecular weight 213.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2R,5S)-2,5-dimethyl-4-oxopiperidin-1-yl]propanoate
Also Known As: 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-, trans-2,5-Dimethyl-4-oxo-1-piperidinepropanoic acid methyl ester, N-beta-(2e,5e-Dimethyl-4-oxo-1-piperidyl)propionic acid methyl ester, methyl 3-[(2R,5S)-2,5-dimethyl-4-oxopiperidin-1-yl]propanoate, RefChem:234417
| Molecular Formula | C11H19NO3 |
|---|---|
| Molecular Weight | 213.14 g/mol |
| LogP | 0.8489 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.13649 |
| Heavy Atoms | 15 |
| Complexity | 252.21759 |
Chemical Identifiers
| CAS Number | 110998-16-8 |
|---|---|
| SMILES | C[C@@H]1CC(=O)[C@H](CN1CCC(=O)OC)C |
Product Overview
1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- (CAS 110998-16-8), with molecular formula C11H19NO3 and molecular weight 213.14 g/mol. IUPAC: methyl 3-[(2R,5S)-2,5-dimethyl-4-oxopiperidin-1-yl]propanoate.
Chemical Property Profile of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-
Property Insights of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-
The XLogP value of 0.8489 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-. With a topological polar surface area (TPSA) of 46.61 Ų, 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-?
The CAS number of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- is 110998-16-8.
What is the molecular formula of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-?
The molecular formula of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- is C11H19NO3.
What is the molecular weight of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-?
The molecular weight of 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- is 213.14 g/mol.
Where can I buy 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-?
You can request a quote for 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans-?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperidinepropanoic acid, 2,5-dimethyl-4-oxo-, methyl ester, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.