| CAS Number | 1434141-75-9 |
| Catalog Number | AG00HWWF(AGN-PC-0WCX8Q) |
| Chemical Name | 5-(tert-Butoxycarbonylamino-methyl)cyclohex-1-enecarboxylic acid |
| IUPAC Name | 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexene-1-carboxylic acid |
| InChI | InChI=1S/C13H21NO4/c1-13(2,3)18-12(17)14-8-9-5-4-6-10(7-9)11(15)16/h6,9H,4-5,7-8H2,1-3H3,(H,14,17)(H,15,16) |
| InChI Key | FGTWYUSFTOAPBY-UHFFFAOYSA-N |
| MDL Number | MFCD26959107 |
| Molecular Formula | C13H21NO4 |
| Molecular Weight | 255.3101 |
| SMILES | CC(C)(C)OC(=O)NCC1CCC=C(C(=O)O)C1 |
| Synonyms | 1434141-75-9,
5-(((tert-Butoxycarbonyl)amino)methyl)cyclohex-1-enecarboxylic acid,
5-(tert-Butoxycarbonylamino-methyl)cyclohex-1-enecarboxylic acid,
5-({[(tert-butoxy)carbonyl]amino}methyl)cyclohex-1-ene-1-carboxylic acid,
MFCD26959107,
SB11242,
KS-000004B9,
AK170910,
AS-33936,
CS-0050778,
5-(tert-Butoxycarbonylamino-methyl)cyclohex-1-enecarboxylic acid, AldrichCPR,
5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexene-1-carboxylic acid,
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| Complexity | 355 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.314g/mol |
| Monoisotopic Mass | 255.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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