| CAS Number | 77357-58-5 |
| Catalog Number | AG019XR9(AGN-PC-0OHZDX) |
| Chemical Name | 2-[(Methoxycarbonyl)amino]-3-phenylpropanoic acid |
| IUPAC Name | 2-(methoxycarbonylamino)-3-phenylpropanoic acid |
| InChI | InChI=1S/C11H13NO4/c1-16-11(15)12-9(10(13)14)7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,12,15)(H,13,14) |
| InChI Key | QGICDLYPUUZBIV-UHFFFAOYSA-N |
| MDL Number | MFCD11128982 |
| Molecular Formula | C11H13NO4 |
| Molecular Weight | 223.2252 |
| SMILES | COC(NC(C(O)=O)CC1=CC=CC=C1)=O |
| Synonyms | 2-[(methoxycarbonyl)amino]-3-phenylpropanoic acid,
77357-58-5,
2-((methoxycarbonyl)amino)-3-phenylpropanoic acid,
(methoxycarbonyl)-l-phenylalanine,
AC1Q44CA,
SCHEMBL205548,
CTK6J2894,
QGICDLYPUUZBIV-UHFFFAOYSA-N,
AKOS000204141,
MCULE-6508396673,
NE45942,
(METHOXYCARBONYL)-D-PHENYLALANINE,
EN300-55836,
2-(methoxycarbonylamino)-3-phenylpropanoic acid,
2-Methoxycarbonylamino-3-phenyl-propionic acid,
Z227935366,
CID11790810,
2-(methoxycarbonylamino)-3-phenyl-propanoic Acid,
(R)-2-(methoxycarbonylamino)-3-phenylpropanoic acid,
67401-65-4,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.228g/mol |
| Monoisotopic Mass | 223.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number