| CAS Number | 1417705-89-5 |
| Catalog Number | AG00HW86(AGN-PC-0WG3TE) |
| Chemical Name | rel-(3R,6R)-1-(tert-Butoxycarbonyl)-6-methylpiperidine-3-carboxylic acid |
| IUPAC Name | (3R,6R)-6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid |
| InChI | InChI=1S/C12H21NO4/c1-8-5-6-9(10(14)15)7-13(8)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15)/t8-,9-/m1/s1 |
| InChI Key | TZCMQIKRCZLVQN-RKDXNWHRSA-N |
| MDL Number | MFCD27997476 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | C(C)(C)(C)OC(=O)N1C[C@@H](CC[C@H]1C)C(=O)O |
| Synonyms | 1417705-89-5,
trans-6-Methyl-piperidine-1,3-dicarboxylic acid 1-tert-butyl ester,
SCHEMBL600728,
TZCMQIKRCZLVQN-RKDXNWHRSA-N,
MFCD27997476,
ZINC95642969,
AS-39859,
CS-0037852,
(3R,6R)-1-(tert-butoxycarbonyl)-6-methylpiperidine-3-carboxylic acid,
rel-(3R,6R)-1-(tert-Butoxycarbonyl)-6-methylpiperidine-3-carboxylic acid,
(3R,6R)-rel-1-[(tert-butoxy)carbonyl]-6-methylpiperidine-3-carboxylic acid,
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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
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