| CAS Number | 174732-96-8 |
| Catalog Number | AG00ASA4(AGN-PC-0O4YBD) |
| Chemical Name | 2-{[(tert-butoxy)carbonyl]amino}-3-(3-hydroxyphenyl)propanoic acid |
| IUPAC Name | 3-(3-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C14H19NO5/c1-14(2,3)20-13(19)15-11(12(17)18)8-9-5-4-6-10(16)7-9/h4-7,11,16H,8H2,1-3H3,(H,15,19)(H,17,18) |
| InChI Key | FABANBOJFXYSHH-UHFFFAOYSA-N |
| MDL Number | MFCD02682297 |
| Molecular Formula | C14H19NO5 |
| Molecular Weight | 281.3044 |
| SMILES | CC(OC(NC(C(O)=O)CC1=CC(O)=CC=C1)=O)(C)C |
| Synonyms | Boc-DL-m-tyrosine,
174732-96-8,
boc-l-m-tyrosine,
N-BOC-3-HYDROXY-D-PHENYLALANINE,
2-((tert-Butoxycarbonyl)amino)-3-(3-hydroxyphenyl)propanoic acid,
2-[(tert-butoxycarbonyl)amino]-3-(3-hydroxyphenyl)propanoic acid,
N-Boc-3-hydroxy-DL-phenylalanine,
90819-32-2,
AK170159,
BOC-L-META-TYROSINE,
SCHEMBL2803616,
FABANBOJFXYSHH-UHFFFAOYSA-N,
5661AD,
AKOS013460016,
BBV-38247208,
J-011031,
2-(tert-butoxycarbonylamino)-3-(3-hydroxyphenyl)propanoic acid,
(2S)-3-(3-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,
3-(3-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,
C14H19NO5,
90819-30-0,
|
| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.308g/mol |
| Monoisotopic Mass | 281.126g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number