| CAS Number | 1404643-29-3 |
| Catalog Number | AG01BV90 |
| Chemical Name | 2-{[(Tert-butoxy)carbonyl]amino}-5-methylhexanoic acid |
| IUPAC Name | 5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid |
| InChI | InChI=1S/C12H23NO4/c1-8(2)6-7-9(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 | PMBPWNBVQINJRH-UHFFFAOYSA-N |
| MDL Number | MFCD11973693 |
| Molecular Formula | C12H23NO4 |
| Molecular Weight | 245.3153 |
| SMILES | C(C)(C)(C)OC(=O)NC(C(=O)O)CCC(C)C |
| Synonyms | Boc-2-amino-5-methylhexanoic acid,
1404643-29-3,
2-{[(tert-butoxy)carbonyl]amino}-5-methylhexanoic acid,
208522-10-5,
(S)-2-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid,
AK141179,
SCHEMBL4804217,
AKOS013465733,
AK308586,
F8887-2650,
Z2678251635,
(2R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid,
(2S)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid,
(R)-2-((tert-Butoxycarbonyl)amino)-5-methylhexanoic acid,
1445976-44-2,
|
| Complexity | 268 |
| 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