| CAS Number | 3339-43-3 |
| Catalog Number | AG00CHQT(AGN-PC-0O9114) |
| Chemical Name | N-ME-ILE-OME HCL |
| IUPAC Name | methyl (2S,3S)-3-methyl-2-(methylamino)pentanoate;hydrochloride |
| InChI | InChI=1S/C8H17NO2.ClH/c1-5-6(2)7(9-3)8(10)11-4;/h6-7,9H,5H2,1-4H3;1H/t6-,7-;/m0./s1 |
| InChI Key | ZWVWOBGHWACSFX-LEUCUCNGSA-N |
| MDL Number | MFCD03093476 |
| Molecular Formula | C8H18ClNO2 |
| Molecular Weight | 195.6870 |
| SMILES | CN[C@H](C(=O)OC)[C@H](CC)C.Cl |
| Synonyms | N-ME-ILE-OME HCL,
3339-43-3,
(2S,3S)-Methyl 3-methyl-2-(methylamino)pentanoate hydrochloride,
N-Me-Ile-OMe hydrochloride,
SCHEMBL16296322,
MFCD03093476,
AKOS006276365,
KS-00000S88,
DS-18548,
K-7700,
N-Methyl-L-isoleucine methyl ester hydrochloride,
J-019173,
N-Me-Ile-OMe . HCl,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.687g/mol |
| Monoisotopic Mass | 195.103g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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