| CAS Number | 1449295-52-6 |
| Catalog Number | AG00HXCB(AGN-PC-0WR70D) |
| Chemical Name | methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclopropylacetate |
| IUPAC Name | methyl (2S)-2-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate |
| InChI | InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-8(7-5-6-7)9(13)15-4/h7-8H,5-6H2,1-4H3,(H,12,14)/t8-/m0/s1 |
| InChI Key | DKYLCANTGPRCHY-QMMMGPOBSA-N |
| MDL Number | MFCD27578394 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | COC(=O)[C@@H](NC(=O)OC(C)(C)C)C1CC1 |
| Synonyms | methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-2-cyclopropylacetate,
1449295-52-6,
SCHEMBL14831258,
DKYLCANTGPRCHY-QMMMGPOBSA-N,
ZINC34455895,
(S)-methyl 2-(tert-butoxycarbonylamino)-2-cyclopropylacetate,
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| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.276g/mol |
| Monoisotopic Mass | 229.131g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 64.6A^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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