| CAS Number | 407627-05-8 |
| Catalog Number | AG00QEWS(AGN-PC-0RP2AO) |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-4-methylidenepiperidine-2-carboxylic acid |
| IUPAC Name | 4-methylidene-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid |
| InChI | InChI=1S/C12H19NO4/c1-8-5-6-13(9(7-8)10(14)15)11(16)17-12(2,3)4/h9H,1,5-7H2,2-4H3,(H,14,15) |
| InChI Key | IDUPJBBZYMOVHP-UHFFFAOYSA-N |
| MDL Number | MFCD12406417 |
| Molecular Formula | C12H19NO4 |
| Molecular Weight | 241.2836 |
| SMILES | CC(OC(N1C(C(O)=O)CC(=C)CC1)=O)(C)C |
| Synonyms | 407627-05-8,
1-[(tert-butoxy)carbonyl]-4-methylidenepiperidine-2-carboxylic acid,
SCHEMBL16824578,
AS-72176,
DB-126783,
1-(tert-Butoxycarbonyl)-4-methylenepiperidine-2-carboxylic acid,
1-tert-butoxycarbonyl-4-methylene-piperidine-2-carboxylic acid,
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| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.131408g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.28g/mol |
| Monoisotopic Mass | 241.131408g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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