| CAS Number | 94732-07-7 |
| Catalog Number | AG01DTC7 |
| Chemical Name | 2-{[(tert-butoxy)carbonyl](ethyl)amino}-3-phenylpropanoic acid |
| IUPAC Name | 2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acid |
| InChI | InChI=1S/C16H23NO4/c1-5-17(15(20)21-16(2,3)4)13(14(18)19)11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,18,19) |
| InChI Key | XPUONYUXLITPJQ-UHFFFAOYSA-N |
| MDL Number | MFCD31616594 |
| Molecular Formula | C16H23NO4 |
| Molecular Weight | 293.3581 |
| SMILES | CCN(C(OC(C)(C)C)=O)C(C(O)=O)CC1=CC=CC=C1 |
| Synonyms | N-Boc-N-ethyl-DL-phenylalanine,
94732-07-7,
(S)-2-((tert-Butoxycarbonyl)(ethyl)amino)-3-phenylpropanoic acid,
SCHEMBL10957808,
AKOS013464581,
2-{[(tert-butoxy)carbonyl](ethyl)amino}-3-phenylpropanoic acid,
70961-24-9,
|
| Complexity | 356 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.363g/mol |
| Monoisotopic Mass | 293.163g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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