Methyl 4-aminobutanoate
TL;DR: Methyl 4-aminobutanoate (CAS 3251-07-8) is a chemical compound with molecular formula C5H11NO2 and molecular weight 117.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-aminobutanoate
Also Known As: Methyl 4-aminobutanoate, GABA methyl ester, Methyl 4-aminobutyrate, Methyl gamma-aminobutyrate, methyl GABA
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H11NO2 |
| Molecular Weight | 117.07898 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 117.07898 Da |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
| SMILES | COC(=O)CCCN |
| InChIKey | KVQGGLZHHFGHPU-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-aminobutanoate
Property Insights of Methyl 4-aminobutanoate
The XLogP value of -0.2 indicates that Methyl 4-aminobutanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.3 Ų, Methyl 4-aminobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-aminobutanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-aminobutanoate?
The CAS number of Methyl 4-aminobutanoate is 3251-07-8.
What is the molecular formula of Methyl 4-aminobutanoate?
The molecular formula of Methyl 4-aminobutanoate is C5H11NO2.
What is the molecular weight of Methyl 4-aminobutanoate?
The molecular weight of Methyl 4-aminobutanoate is 117.07898 g/mol.
Where can I buy Methyl 4-aminobutanoate?
You can request a quote for Methyl 4-aminobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-aminobutanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-aminobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.