| CAS Number | 1098188-08-9 |
| Catalog Number | AG00HBLS(AGN-PC-0WCXZ2) |
| Chemical Name | N-BOC-2-(1-TRIFLUOROMETHYLCYCLOPROPYL)-DL-GLYCINE |
| IUPAC Name | 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[1-(trifluoromethyl)cyclopropyl]acetic acid |
| InChI | InChI=1S/C11H16F3NO4/c1-9(2,3)19-8(18)15-6(7(16)17)10(4-5-10)11(12,13)14/h6H,4-5H2,1-3H3,(H,15,18)(H,16,17) |
| InChI Key | SHCPATAWOPVBQH-UHFFFAOYSA-N |
| MDL Number | MFCD11053529 |
| Molecular Formula | C11H16F3NO4 |
| Molecular Weight | 283.2442 |
| SMILES | CC(OC(NC(C1(C(F)(F)F)CC1)C(O)=O)=O)(C)C |
| Synonyms | 1098188-08-9,
N-Boc-2-(1-trifluoromethylcyclopropyl)-DL-glycine,
2-((tert-Butoxycarbonyl)amino)-2-(1-(trifluoromethyl)cyclopropyl)acetic acid,
SCHEMBL2377966,
DTXSID40705325,
MFCD11053529,
AS-36296,
X-3712,
tert-butoxycarbonylamino-(1-trifluoromethyl-cyclopropyl)-acetic acid,
[(tert-Butoxycarbonyl)amino][1-(trifluoromethyl)cyclopropyl]acetic acid,
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| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.247g/mol |
| Monoisotopic Mass | 283.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number