4-(Isopropylamino)-4-oxobutanoic acid
TL;DR: 4-(Isopropylamino)-4-oxobutanoic acid (CAS 105164-38-3) is a chemical compound with molecular formula C7H13NO3 and molecular weight 159.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-4-(propan-2-ylamino)butanoic acid
Also Known As: N-isopropylsuccinamic acid, 4-(isopropylamino)-4-oxobutanoic acid, 3-[(propan-2-yl)carbamoyl]propanoic acid, 4-oxo-4-(propan-2-ylamino)butanoic acid, 3-(propan-2-ylcarbamoyl)propanoic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H13NO3 |
| Molecular Weight | 159.08954 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 159.08954 Da |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
| SMILES | CC(C)NC(=O)CCC(=O)O |
| InChIKey | FZXVBVRIVMJAMV-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Isopropylamino)-4-oxobutanoic acid
Property Insights of 4-(Isopropylamino)-4-oxobutanoic acid
The XLogP value of -0.2 indicates that 4-(Isopropylamino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Isopropylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(Isopropylamino)-4-oxobutanoic acid has 2 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 4-(Isopropylamino)-4-oxobutanoic acid?
The CAS number of 4-(Isopropylamino)-4-oxobutanoic acid is 105164-38-3.
What is the molecular formula of 4-(Isopropylamino)-4-oxobutanoic acid?
The molecular formula of 4-(Isopropylamino)-4-oxobutanoic acid is C7H13NO3.
What is the molecular weight of 4-(Isopropylamino)-4-oxobutanoic acid?
The molecular weight of 4-(Isopropylamino)-4-oxobutanoic acid is 159.08954 g/mol.
Where can I buy 4-(Isopropylamino)-4-oxobutanoic acid?
You can request a quote for 4-(Isopropylamino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Isopropylamino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Isopropylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.