| CAS Number | 1932555-95-7 |
| Catalog Number | AG00ILCG(AGN-PC-0WRAJT) |
| Chemical Name | (2R,4R)-1-[(tert-butoxy)carbonyl]-2-methylpiperidine-4-carboxylic acid |
| IUPAC Name | (2R,4R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid |
| InChI | InChI=1S/C12H21NO4/c1-8-7-9(10(14)15)5-6-13(8)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m1/s1 |
| InChI Key | JYCRXMSJGZWACP-RKDXNWHRSA-N |
| MDL Number | MFCD29058646 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | O=C(OC(C)(C)C)N1[C@H](C)C[C@H]([C@](O)=O)CC1 |
| Synonyms | 1250959-07-9,
(2R,4R)-1-(tert-Butoxycarbonyl)-2-methylpiperidine-4-carboxylic acid,
SCHEMBL16680564,
ZINC98095692,
AKOS027328746,
CS-0053469,
(2R,4R)-1-[(tert-Butoxy)carbonyl]-2-methylpiperidine-4-carboxylic acid,
JYCRXMSJGZWACP-RKDXNWHRSA-N,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.303g/mol |
| Monoisotopic Mass | 243.147g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number