| CAS Number | 114359-37-4 |
| Catalog Number | AG0094ZI(AGN-PC-0NYG1X) |
| Chemical Name | (R)-2-((tert-Butoxycarbonyl)amino)-3-(4-ethylphenyl)propanoic acid |
| IUPAC Name | (2R)-3-(4-ethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C16H23NO4/c1-5-11-6-8-12(9-7-11)10-13(14(18)19)17-15(20)21-16(2,3)4/h6-9,13H,5,10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m1/s1 |
| InChI Key | IDBBFXLHABOKHF-CYBMUJFWSA-N |
| MDL Number | MFCD07371950 |
| Molecular Formula | C16H23NO4 |
| Molecular Weight | 293.3581 |
| SMILES | C(=O)(OC(C)(C)C)[C@@](C(=O)O)(CC1=CC=C(C=C1)CC)N |
| Synonyms | (R)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(4-ETHYLPHENYL)PROPANOIC ACID,
114359-37-4,
BOC-(S)-2-AMINO-3-(4-ETHYLPHENYL)PROPANOIC ACID,
MFCD07371950,
ZINC44547546,
AKOS030529359,
AB33362,
(2R)-2-(tert-butoxycarbonylamino)-3-(4-ethylphenyl)propanoic acid,
(2R)-2-(tert-butoxycarbonylamino)-3-(4-ethylphenyl)propionic acid,
(2R)-3-(4-ethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,
(2R)-3-(4-ethylphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid,
BOC-(R)-2-AMINO-3-(4-ETHYLPHENYL)PROPANOIC ACID,
(S)-2-(TERT-BUTOXYCARBONYLAMINO)-3-(4-ETHYLPHENYL)PROPANOIC ACID,
261380-34-1,
N/A,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.363g/mol |
| Monoisotopic Mass | 293.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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