| CAS Number | 1019363-04-2 |
| Catalog Number | AG01A9AV |
| Chemical Name | 1-[(2-Methylpropoxy)carbonyl]piperidine-4-carboxylic acid |
| IUPAC Name | 1-(2-methylpropoxycarbonyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C11H19NO4/c1-8(2)7-16-11(15)12-5-3-9(4-6-12)10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14) |
| InChI Key | VRAMYYGDTFWZHI-UHFFFAOYSA-N |
| MDL Number | MFCD11128990 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | CC(COC(N1CCC(C(O)=O)CC1)=O)C |
| Synonyms | 1-[(2-methylpropoxy)carbonyl]piperidine-4-carboxylic acid,
1019363-04-2,
AC1Q1PRL,
SCHEMBL5676009,
ZINC19815896,
AKOS000204188,
MCULE-4851439108,
NE14950,
EN300-64599,
1-(isobutoxycarbonyl)piperidine-4-carboxylic acid,
F2158-1180,
Z133618626,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.276g/mol |
| Monoisotopic Mass | 229.131g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number