| CAS Number | 776330-51-9 |
| Catalog Number | AG005GLU(AGN-PC-01A997) |
| Chemical Name | 3-tert-Butoxycarbonylamino-4-ethyl-hexanoic acid |
| IUPAC Name | 4-ethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid |
| InChI | InChI=1S/C13H25NO4/c1-6-9(7-2)10(8-11(15)16)14-12(17)18-13(3,4)5/h9-10H,6-8H2,1-5H3,(H,14,17)(H,15,16) |
| InChI Key | XECWTCWVMZJZRC-UHFFFAOYSA-N |
| MDL Number | MFCD05863634 |
| Molecular Formula | C13H25NO4 |
| Molecular Weight | 259.3419 |
| SMILES | CCC(C(NC(OC(C)(C)C)=O)CC(O)=O)CC |
| Synonyms | 3-tert-Butoxycarbonylamino-4-ethyl-hexanoic acid,
776330-51-9,
SCHEMBL6690527,
AA142,
MFCD05863634,
AKOS013462704,
AB22650,
BBV-38259700,
OR307570,
RT-008882,
T6658,
3-Boc-Amino-4-ethyl-hexanoic acid,
3-TERT-BUTOXYCARBONYLAMINO-4-ETHYL-HEXANOICACID,
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| Complexity | 279 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.346g/mol |
| Monoisotopic Mass | 259.178g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number