| CAS Number | 119145-87-8 |
| Catalog Number | AG01BJ88(AGN-PC-0PCXUS) |
| Chemical Name | Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]methylamino]- |
| IUPAC Name | 1-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H17NO4/c1-9(2,3)15-8(14)11(4)10(5-6-10)7(12)13/h5-6H2,1-4H3,(H,12,13) |
| InChI Key | SGWWJFJPLPQMBP-UHFFFAOYSA-N |
| MDL Number | MFCD18459153 |
| Molecular Formula | C10H17NO4 |
| Molecular Weight | 215.2463 |
| SMILES | N(C(=O)OC(C)(C)C)(C)C1(C(=O)O)CC1 |
| Synonyms | 119145-87-8,
1-((tert-butoxycarbonyl)(methyl)amino)cyclopropanecarboxylic acid,
SCHEMBL1771222,
SGWWJFJPLPQMBP-UHFFFAOYSA-N,
ZINC96675750,
AKOS005264880,
F2147-4264,
1-(tert-butoxycarbonyl(methyl)amino)cyclopropanecarboxylic acid,
1-((tert-butoxycarbonyl)(methyl)amino)cyclopropane-1-carboxylic acid,
1-(tert-Butoxycarbonyl-methyl-amino)-cyclopropane Carboxylic Acid,
1-{[(tert-butoxy)carbonyl](methyl)amino}cyclopropane-1-carboxylic acid,
1-[[(1,1-dimethylethoxy)carbonyl]methylamino]Cyclopropanecarboxylic acid,
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| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.249g/mol |
| Monoisotopic Mass | 215.116g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
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