| CAS Number | 565196-40-9 |
| Catalog Number | AG019P0Z |
| Chemical Name | 3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoic Acid |
| IUPAC Name | 3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoic acid |
| InChI | InChI=1S/C16H16N2O4/c17-16(21)18-14(10-15(19)20)11-5-4-8-13(9-11)22-12-6-2-1-3-7-12/h1-9,14H,10H2,(H,19,20)(H3,17,18,21) |
| InChI Key | LUAYOSNCVANEFH-UHFFFAOYSA-N |
| MDL Number | MFCD03976217 |
| Molecular Formula | C16H16N2O4 |
| Molecular Weight | 300.3092 |
| SMILES | OC(=O)CC(c1cccc(c1)Oc1ccccc1)NC(=O)N |
| Synonyms | 3-(carbamoylamino)-3-(3-phenoxyphenyl)propanoic Acid,
565196-40-9,
SR-01000041900,
SR-01000041900-1,
Z56904723,
CID5139891,
3-[(aminocarbonyl)amino]-3-(3-phenoxyphenyl)propanoic acid,
EN300-17280,
AC1NOKSN,
AC1Q4ZUE,
CTK7J1716,
AKOS034464949,
MCULE-6355621805,
NE37584,
|
| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.314g/mol |
| Monoisotopic Mass | 300.111g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number