| CAS Number | 197006-14-7 |
| Catalog Number | AG007R2W(AGN-PC-0O6O7E) |
| Chemical Name | (4R)-4-{[(tert-butoxy)carbonyl]amino}-5-methylhexanoic acid |
| IUPAC Name | (4R)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid |
| InChI | InChI=1S/C12H23NO4/c1-8(2)9(6-7-10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15)/t9-/m1/s1 |
| InChI Key | TUFIBOHQJUSMKX-SECBINFHSA-N |
| MDL Number | MFCD02094562 |
| Molecular Formula | C12H23NO4 |
| Molecular Weight | 245.3153 |
| SMILES | CC([C@H](NC(OC(C)(C)C)=O)CCC(O)=O)C |
| Synonyms | (R)-Boc-4-amino-5-methylhexanoic acid,
197006-14-7,
(4R)-4-{[(tert-butoxy)carbonyl]amino}-5-methylhexanoic acid,
AC1MBSED,
ZINC2389788,
4364AH,
MFCD02094562,
RT-011394,
A-7596,
4-BOC-(R)-AMINO-5-METHYL HEXANOIC ACID,
J-012737,
(4R)-4-(tert-Butoxycarbonylamino)-5-methylhexanoic acid,
(4R)-5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid,
C12H23NO4,
(R)-Boc-4-amino-5-methyl-hexanoic acid,
CID2755925,
5-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic Acid,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number