| CAS Number | 158807-51-3 |
| Catalog Number | AG001QWF(AGN-PC-0Q7KS7) |
| Chemical Name | Methyl (r)-n-boc-3-phenyl-beta-alaninate |
| IUPAC Name | methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate |
| InChI | InChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16-12(10-13(17)19-4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,18)/t12-/m1/s1 |
| InChI Key | OCQYRBSHPIUCTQ-GFCCVEGCSA-N |
| MDL Number | MFCD09261404 |
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.3315 |
| SMILES | COC(=O)C[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1 |
| Synonyms | METHYL (R)-N-BOC-3-PHENYL-BETA-ALANINATE,
158807-51-3,
(R)-3-TERT-BUTOXYCARBONYLAMINO-3-PHENYL-PROPIONIC ACID METHYL ESTER,
Methyl (3S)-3-Boc-amino-3-phenylpropionate,
SCHEMBL5862217,
OCQYRBSHPIUCTQ-GFCCVEGCSA-N,
190189-97-0,
ACT09050,
MFCD09261404,
ZINC16698089,
AS-38066,
R-3-tert-Butoxycarbonylamino-3-phenyl-propionic acid,
(R)-3-(tert-Butoxycarbonylamino)-3-phenylpropanoic acid methyl ester,
(|AS)-|A-[[(1,1-Dimethylethoxy)carbonyl]amino]-benzenepropanoic Acid Methyl Ester,
Benzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (betaR)-,
(R)-methyl 4-(tert-butoxycarbonylamino)-3-phenylbutanoate,
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| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.336g/mol |
| Monoisotopic Mass | 279.147g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number