| CAS Number | 132785-19-4 |
| Catalog Number | AG00HSPK(AGN-PC-0PJTR6) |
| Chemical Name | methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate |
| IUPAC Name | methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate |
| InChI | InChI=1S/C15H17NO4/c1-9(2)8-12(15(19)20-3)16-13(17)10-6-4-5-7-11(10)14(16)18/h4-7,9,12H,8H2,1-3H3/t12-/m0/s1 |
| InChI Key | FCVRGPUDVVLQRT-LBPRGKRZSA-N |
| MDL Number | MFCD27578234 |
| Molecular Formula | C15H17NO4 |
| Molecular Weight | 275.2998 |
| SMILES | COC(=O)[C@@H](N1C(=O)c2c(C1=O)cccc2)CC(C)C |
| Synonyms | methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoate,
132785-19-4,
ZINC8283611,
N,N-Phthaloyl-L-leucine methyl ester,
ZINC08283612,
CID9408562,
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| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.304g/mol |
| Monoisotopic Mass | 275.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 63.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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