| CAS Number | 1423134-61-5 |
| Catalog Number | AG003RPP(AGN-PC-0JC5DA) |
| Chemical Name | Methyl 3-(Boc-amino)-3-(3-hydroxyphenyl)propanoate |
| IUPAC Name | methyl 3-(3-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChI | InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(18)20-4)10-6-5-7-11(17)8-10/h5-8,12,17H,9H2,1-4H3,(H,16,19) |
| InChI Key | ZMTYKJJOKXHQAL-UHFFFAOYSA-N |
| MDL Number | MFCD27935388 |
| Molecular Formula | C15H21NO5 |
| Molecular Weight | 295.3309 |
| SMILES | COC(=O)CC(NC(=O)OC(C)(C)C)C1=CC=CC(O)=C1 |
| Synonyms | Methyl 3-(Boc-amino)-3-(3-hydroxyphenyl)propanoate,
1423134-61-5,
methyl 3-(3-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate,
SCHEMBL14698264,
KS-00000AMD,
ZMTYKJJOKXHQAL-UHFFFAOYSA-N,
6992AJ,
MFCD27935388,
AKOS025243200,
TRA0048120,
AS-32554,
SY028065,
FT-0767920,
MFCD27935388 (97+%),
Methyl3-(Boc-amino)-3-(3-hydroxyphenyl)propanoate,
methyl 3-[(tert-butoxycarbonyl)amino]-3-(3-hydroxyphenyl)propanoate,
Methyl 3-(3-hydroxyphenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate,
C15H21NO5,
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| 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 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number