| CAS Number | 1810070-30-4 |
| Catalog Number | AG00IM2J |
| Chemical Name | (1R,2S)-rel-2-{[(tert-butoxy)carbonyl]amino}cyclopropane-1-carboxylic acid |
| IUPAC Name | (1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C9H15NO4/c1-9(2,3)14-8(13)10-6-4-5(6)7(11)12/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-,6+/m1/s1 |
| InChI Key | NOZMNADEEKQWGO-RITPCOANSA-N |
| MDL Number | MFCD28501610 |
| Molecular Formula | C9H15NO4 |
| Molecular Weight | 201.2197 |
| SMILES | C(C)(C)(C)OC(=O)N[C@@H]1[C@@H](C1)C(=O)O |
| Synonyms | 1810070-30-4,
cis-2-((tert-Butoxycarbonyl)amino)cyclopropanecarboxylic acid,
cis-2-([(tert-butoxy)carbonyl]amino)cyclopropane-1-carboxylic acid,
ZINC40434478,
FCH4273292,
AK171271,
(1S,2R)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclopropanecarboxylic acid,
cis-cyclopropanecarboxylic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-,
1415964-02-1,
N/A,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.222g/mol |
| Monoisotopic Mass | 201.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number