| CAS Number | 1171916-91-8 |
| Catalog Number | AG01FOE9(AGN-PC-0WC1Z7) |
| Chemical Name | (1-Isobutyryl-piperidin-4-YL)-acetic acid |
| IUPAC Name | 2-[1-(2-methylpropanoyl)piperidin-4-yl]acetic acid |
| InChI | InChI=1S/C11H19NO3/c1-8(2)11(15)12-5-3-9(4-6-12)7-10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14) |
| InChI Key | YYUURAINPBATFU-UHFFFAOYSA-N |
| MDL Number | MFCD12028495 |
| Molecular Formula | C11H19NO3 |
| Molecular Weight | 213.2735 |
| SMILES | CC(C)C(=O)N1CCC(CC1)CC(=O)O |
| Synonyms | (1-ISOBUTYRYL-PIPERIDIN-4-YL)-ACETIC ACID,
1171916-91-8,
2-(1-Isobutyrylpiperidin-4-yl)acetic acid,
CTK7J2449,
ZINC19685914,
AKOS015837588,
CCG-209634,
TR-061647,
Z-1949,
[1-(2-methylpropanoyl)piperidin-4-yl]acetic acid,
A1-07663,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.277g/mol |
| Monoisotopic Mass | 213.136g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number