| CAS Number | 1310680-39-7 |
| Catalog Number | AG00HSCU(AGN-PC-0WR0HX) |
| Chemical Name | (R)-2-((tert-Butoxycarbonyl)amino)-3-ethylpentanoic acid |
| IUPAC Name | 3-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid |
| InChI | InChI=1S/C12H23NO4/c1-6-8(7-2)9(10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15) |
| InChI Key | IWFUADFCRJVRNH-UHFFFAOYSA-N |
| MDL Number | MFCD12545944 |
| Molecular Formula | C12H23NO4 |
| Molecular Weight | 245.3153 |
| SMILES | CCC(CC)[C@H](C(=O)O)NC(=O)OC(C)(C)C |
| Synonyms | N-Boc-3-ethyl-L-norvaline,
(R)-2-((tert-Butoxycarbonyl)amino)-3-ethylpentanoic acid,
2-([(TERT-BUTOXY)CARBONYL]AMINO)-3-ETHYLPENTANOIC ACID,
1404735-94-9,
1310680-39-7,
SCHEMBL3448016,
AKOS013464558,
(S)-2-((tert-Butoxycarbonyl)amino)-3-ethylpentanoic acid,
35264-04-1,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.319g/mol |
| Monoisotopic Mass | 245.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number