| CAS Number | 372198-97-5 |
| Catalog Number | AG00CHVH(AGN-PC-0RDH5O) |
| Chemical Name | N-Methyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]glycine |
| IUPAC Name | 2-[methyl-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetic acid |
| InChI | InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)/t17-/m1/s1 |
| InChI Key | KZWQAWBTWNPFPW-QGZVFWFLSA-N |
| MDL Number | MFCD20526337 |
| Molecular Formula | C19H20F3NO3 |
| Molecular Weight | 367.3622 |
| SMILES | CN(CC[C@H](C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)CC(O)=O |
| Synonyms | org 24598,
org24598,
R-(-)-N-methyl-N-(3-(4-trifluoromethyl)phenoxy)-3-phenyl-propylglycine lithium salt,
Org 24598,
372198-97-5,
CHEMBL360052,
ORG-24598,
2-[methyl-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetic acid,
AC1NSKCZ,
GTPL4600,
SCHEMBL15127607,
BDBM50149856,
ZINC13816272,
AKOS030210940,
N-Methyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]-glycine,
N-Methyl-N-[(3R)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]glycine,
{Methyl-[(R)-3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-amino}-acetic acid,
D00LNK,
KZWQAWBTWNPFPW-QGZVFWFLSA-N,
CID5311285,
2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetic Acid,
|
| Complexity | 430 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.14g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.368g/mol |
| Monoisotopic Mass | 367.14g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number