| CAS Number | 67862-03-7 |
| Catalog Number | AG005P85(AGN-PC-0WCZJV) |
| Chemical Name | N-Boc-2-octyl-l-glycine |
| IUPAC Name | (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid |
| InChI | InChI=1S/C15H29NO4/c1-5-6-7-8-9-10-11-12(13(17)18)16-14(19)20-15(2,3)4/h12H,5-11H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1 |
| InChI Key | OXOZMSCSDJPGHN-LBPRGKRZSA-N |
| MDL Number | MFCD01320854 |
| Molecular Formula | C15H29NO4 |
| Molecular Weight | 287.3951 |
| SMILES | CCCCCCCC[C@H](NC(OC(C)(C)C)=O)C(O)=O |
| Synonyms | N-Boc-2-Octyl-L-glycine,
67862-03-7,
(S)-2-((tert-Butoxycarbonyl)amino)decanoic acid,
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]decanoic acid,
(S)-2-TERT-BUTOXYCARBONYLAMINO-DECANOIC ACID,
CTK8G1679,
DTXSID60679418,
ZINC2379436,
MFCD01320854,
AKOS027327129,
AS-37008,
AB0075479,
AX8143600,
CS-0061494,
X-1070,
(S)-2-(tert- Butoxycarbonylamino)decanoic acid,
(2S)-2-[(tert-Butoxycarbonyl)amino]decanoic acid,
A835909,
(S)-2-[(tert-Butyloxycarbonyl)amino]decanoic acid,
(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]decanoic acid,
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| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.4g/mol |
| Monoisotopic Mass | 287.21g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number