| CAS Number | 1310680-21-7 |
| Catalog Number | AG009FJC(AGN-PC-0WBOIY) |
| Chemical Name | 3-((Tert-Butoxycarbonyl)Amino)-2-(Naphthalen-1-Yl)Propanoic Acid |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylpropanoic acid |
| InChI | InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)19-11-15(16(20)21)14-10-6-8-12-7-4-5-9-13(12)14/h4-10,15H,11H2,1-3H3,(H,19,22)(H,20,21) |
| InChI Key | CBFFDJYYWUYODE-UHFFFAOYSA-N |
| MDL Number | MFCD18761979 |
| Molecular Formula | C18H21NO4 |
| Molecular Weight | 315.3636 |
| SMILES | C(C)(C)(C)OC(=O)NCC(C(=O)O)C1=CC=CC2=CC=CC=C12 |
| Synonyms | 1310680-21-7,
(R,S)-Boc-3-amino-2-(naphthalen-1-yl)-propionic acid,
3-((tert-Butoxycarbonyl)amino)-2-(naphthalen-1-yl)propanoic acid,
Boc-3-amino-2-(naphthalen-1-yl)-propionic acid,
ZX-AV000420,
4381AH,
MFCD18761979,
AKOS027326159,
AS-47973,
3-[(tert-butoxycarbonyl)amino]-2-(1-naphthyl)propanoic acid,
3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-naphthalen-1-ylpropanoic acid,
C18H21NO4,
CBFFDJYYWUYODE-UHFFFAOYSA-N,
|
| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.369g/mol |
| Monoisotopic Mass | 315.147g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
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