| CAS Number | 82611-48-1 |
| Catalog Number | AG00G3K9(AGN-PC-0UMNYV) |
| Chemical Name | 1-Pyrrolidineacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-α-(2-methylpropyl)-2-oxo-, [S-(R*,S*)]- (9CI) |
| IUPAC Name | (2S)-4-methyl-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoic acid |
| InChI | InChI=1S/C15H26N2O5/c1-9(2)8-11(13(19)20)17-7-6-10(12(17)18)16-14(21)22-15(3,4)5/h9-11H,6-8H2,1-5H3,(H,16,21)(H,19,20)/t10-,11-/m0/s1 |
| InChI Key | JREAFDMYUYIYLC-QWRGUYRKSA-N |
| MDL Number | MFCD11226797 |
| Molecular Formula | C15H26N2O5 |
| Molecular Weight | 314.3773 |
| SMILES | CC(C[C@H](N1CC[C@@H](C1=O)NC(=O)OC(C)(C)C)C(=O)O)C |
| Synonyms | BOC-FREIDINGER'S LACTAM,
82611-48-1,
ZINC2545949,
KM2127,
MFCD11226797,
V7885,
C15H26N2O5,
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| Complexity | 442 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.382g/mol |
| Monoisotopic Mass | 314.184g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number