| CAS Number | 1404754-06-8 |
| Catalog Number | AG01C12V |
| Chemical Name | 2-{[(Tert-butoxy)carbonyl](methyl)amino}-4,4-dimethylpentanoic acid |
| IUPAC Name | 4,4-dimethyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid |
| InChI | InChI=1S/C13H25NO4/c1-12(2,3)8-9(10(15)16)14(7)11(17)18-13(4,5)6/h9H,8H2,1-7H3,(H,15,16) |
| InChI Key | IPXPECOIMFVOLR-UHFFFAOYSA-N |
| MDL Number | MFCD19401005 |
| Molecular Formula | C13H25NO4 |
| Molecular Weight | 259.3419 |
| SMILES | CN(C(OC(C)(C)C)=O)C(C(O)=O)CC(C)(C)C |
| Synonyms | 2-{[(tert-butoxy)carbonyl](methyl)amino}-4,4-dimethylpentanoic acid,
1404754-06-8,
(2R)-2-{[(tert-butoxy)carbonyl](methyl)amino}-4,4-dimethylpentanoic acid,
287210-83-7,
SCHEMBL68034,
AKOS013465809,
Z2235810248,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.346g/mol |
| Monoisotopic Mass | 259.178g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number