| CAS Number | 683218-95-3 |
| Catalog Number | AG00FAXZ(AGN-PC-0TS26I) |
| Chemical Name | 2-(tert-Butoxycarbonylamino-methyl)-3-(4-methoxy-phenyl)-propionic acid |
| IUPAC Name | 2-[(4-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C16H23NO5/c1-16(2,3)22-15(20)17-10-12(14(18)19)9-11-5-7-13(21-4)8-6-11/h5-8,12H,9-10H2,1-4H3,(H,17,20)(H,18,19) |
| InChI Key | RZILVXJBADJFIP-UHFFFAOYSA-N |
| MDL Number | MFCD03003701 |
| Molecular Formula | C16H23NO5 |
| Molecular Weight | 309.3575 |
| SMILES | C(C)(C)(C)OC(=O)NCC(C(=O)O)CC1=CC=C(C=C1)OC |
| Synonyms | 683218-95-3,
2-N-Boc-2-Aminomethyl-3-(4-methoxyphenyl)-propionic acid,
2-(TERT-BUTOXYCARBONYLAMINO-METHYL)-3-(4-METHOXY-PHENYL)-PROPIONIC ACID,
3-((tert-Butoxycarbonyl)amino)-2-(4-methoxybenzyl)propanoic acid,
3-[(tert-Butoxycarbonyl)amino]-2-(4-methoxybenzyl)propanoic acid,
SCHEMBL16798417,
CTK7A3539,
DTXSID70661445,
ZX-AV000311,
5095AH,
MFCD03003701,
AKOS025312490,
AS-36626,
A-8348,
A836100,
2-{[(tert-Butoxycarbonyl)amino]methyl}-3-(4-methoxyphenyl)propanoic acid,
2-[(4-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,
2-[(4-methoxyphenyl)methyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid,
C16H23NO5,
2-N-Boc-2-Aminomethyl-3-(4-methoxyphenyl)-propionicacid,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.362g/mol |
| Monoisotopic Mass | 309.158g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number