| CAS Number | 40224-39-3 |
| Catalog Number | AG01BTW0(AGN-PC-0O9ZU8) |
| Chemical Name | Chloromethyl (2s)-2-([(tert-butoxy)carbonyl]amino)-3-methylbutanoate |
| IUPAC Name | chloromethyl (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate |
| InChI | InChI=1S/C11H20ClNO4/c1-7(2)8(9(14)16-6-12)13-10(15)17-11(3,4)5/h7-8H,6H2,1-5H3,(H,13,15)/t8-/m0/s1 |
| InChI Key | NHUFQUUQDKNIOP-QMMMGPOBSA-N |
| MDL Number | MFCD12165906 |
| Molecular Formula | C11H20ClNO4 |
| Molecular Weight | 265.7338 |
| SMILES | C(C)(C)(C)OC(=O)N[C@H](C(=O)OCCl)C(C)C |
| Synonyms | 40224-39-3,
(S)-Chloromethyl 2-((tert-butoxycarbonyl)amino)-3-methylbutanoate,
N-tert-butoxycarbonyl-L-valine chloromethyl ester,
n-tert-butoxycarbonyl-(l)-valine chloromethyl ester,
SCHEMBL3180769,
NHUFQUUQDKNIOP-QMMMGPOBSA-N,
ZINC59703092,
CS-0091544,
A1-10047,
(S)-Chloromethyl 2-(tert-butoxycarbonylamino)-3-methylbutanoate,
(S)-2-t-butoxycarbonylamino-3-methyl-butyric acid chloromethyl ester,
(S)-2-t-Butoxycarbonylamino-3-methylbutyric Acid Chloromethyl Ester,
Chloromethyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-methylbutanoate,
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| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.734g/mol |
| Monoisotopic Mass | 265.108g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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