| CAS Number | 106860-17-7 |
| Catalog Number | AG00963P(AGN-PC-0OWII9) |
| Chemical Name | Methyl (2S)-2-amino-4-phenylbutanoate |
| IUPAC Name | methyl (2S)-2-amino-4-phenylbutanoate |
| InChI | InChI=1S/C11H15NO2/c1-14-11(13)10(12)8-7-9-5-3-2-4-6-9/h2-6,10H,7-8,12H2,1H3/t10-/m0/s1 |
| InChI Key | YEPNFOMBMXWUOG-JTQLQIEISA-N |
| MDL Number | MFCD20690706 |
| Molecular Formula | C11H15NO2 |
| Molecular Weight | 193.2423 |
| SMILES | COC([C@H](CCC1=CC=CC=C1)N)=O |
| Synonyms | METHYL (2S)-2-AMINO-4-PHENYLBUTANOATE,
106860-17-7,
SCHEMBL1841055,
YEPNFOMBMXWUOG-JTQLQIEISA-N,
ZINC2511758,
AKOS027430573,
methyl (S)-2-amino-4-phenylbutanoate,
(S)-2-Amino-4-phenylbutyric acid methyl ester,
(S)-methyl 2-amino-4-phenylbutanoate,
Methyl 2-amino-4-phenyl-butanoate,
methyl L-2-amino-4-phenylbutanoate,
CID10867190,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.246g/mol |
| Monoisotopic Mass | 193.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number