![Methyl 4-[(propan-2-yl)amino]butanoate structure](/static/products/1418/141854-96-8.webp)
Methyl 4-[(propan-2-yl)amino]butanoate
TL;DR: Methyl 4-[(propan-2-yl)amino]butanoate (CAS 141854-96-8) is a chemical compound with molecular formula C8H17NO2 and molecular weight 159.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(propan-2-ylamino)butanoate
Also Known As: methyl 4-[(propan-2-yl)amino]butanoate, Methyl 4-(isopropylamino)butanoate, methyl 4-(propan-2-ylamino)butanoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H17NO2 |
| Molecular Weight | 159.12593 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 159.12593 Da |
| Heavy Atoms | 11 |
| Complexity | 113.0 |
| SMILES | CC(C)NCCCC(=O)OC |
| InChIKey | RSJKCQHGLDSNIT-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-[(propan-2-yl)amino]butanoate
Property Insights of Methyl 4-[(propan-2-yl)amino]butanoate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-[(propan-2-yl)amino]butanoate. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl 4-[(propan-2-yl)amino]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[(propan-2-yl)amino]butanoate 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-[(propan-2-yl)amino]butanoate?
The CAS number of Methyl 4-[(propan-2-yl)amino]butanoate is 141854-96-8.
What is the molecular formula of Methyl 4-[(propan-2-yl)amino]butanoate?
The molecular formula of Methyl 4-[(propan-2-yl)amino]butanoate is C8H17NO2.
What is the molecular weight of Methyl 4-[(propan-2-yl)amino]butanoate?
The molecular weight of Methyl 4-[(propan-2-yl)amino]butanoate is 159.12593 g/mol.
Where can I buy Methyl 4-[(propan-2-yl)amino]butanoate?
You can request a quote for Methyl 4-[(propan-2-yl)amino]butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-[(propan-2-yl)amino]butanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-[(propan-2-yl)amino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.