| CAS Number | 82278-99-7 |
| Catalog Number | AG00GA8Q |
| Chemical Name | 2-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid |
| IUPAC Name | 3-(3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)9-10-6-5-7-11(8-10)20-4/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18) |
| InChI Key | GOHDMZILHKRUGN-UHFFFAOYSA-N |
| MDL Number | MFCD07388725 |
| Molecular Formula | C15H21NO5 |
| Molecular Weight | 295.3309 |
| SMILES | COC1=CC(CC(C(O)=O)NC(OC(C)(C)C)=O)=CC=C1 |
| Synonyms | 82278-99-7,
2-([(tert-Butoxy)carbonyl]amino)-3-(3-methoxyphenyl)propanoic acid,
2-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid,
(S)-2-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid,
2-{[(tert-butoxy)carbonyl]amino}-3-(3-methoxyphenyl)propanoic acid,
SCHEMBL3821386,
MFCD07388725,
AKOS005350280,
2-(Boc-amino)-3-(3-methoxyphenyl)propanoic Acid,
DL-N-(TERT-BUTOXYCARBONYL)-3-METHOXYPHENYLALANINE,
Z2681277092,
(2R)-3-(3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,
(2S)-3-(3-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,
Boc-3-Methoxy-L-Phenylalanine,
Boc-3-methoxy-DL-phenylalanine,
(R)-2-((tert-Butoxycarbonyl)amino)-3-(3-methoxyphenyl)propanoic acid,
261360-71-8,
261380-37-4,
N/A,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 295.335g/mol |
| Monoisotopic Mass | 295.142g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number