| CAS Number | 29588-87-2 |
| Catalog Number | AG019EL8 |
| Chemical Name | (2R)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoic acid |
| EC Number | 219-337-1 |
| IUPAC Name | (2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid |
| InChI | InChI=1S/C14H15NO4/c1-8(2)7-11(14(18)19)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-6,8,11H,7H2,1-2H3,(H,18,19)/t11-/m1/s1 |
| InChI Key | RMOSZIHTPMEZAP-LLVKDONJSA-N |
| MDL Number | MFCD11518830 |
| Molecular Formula | C14H15NO4 |
| Molecular Weight | 261.2732 |
| SMILES | CC(C[C@H](C(O)=O)N1C(=O)C2=C(C=CC=C2)C1=O)C |
| Synonyms | Phthaloyl-L-Leucine,
2419-38-7,
29588-87-2,
AC1LEMAQ,
(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid,
(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid,
SCHEMBL11616001,
CTK8B3011,
ZINC57457,
ANW-41593,
AKOS015969569,
FCH3609606,
AS-49233,
(R)-2-Phthalimidyl-4-methylpentanoic acid,
CS-0061017,
EN300-238971,
NSC56825,
CID688555,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.277g/mol |
| Monoisotopic Mass | 261.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number