| CAS Number | 21428-07-9 |
| Catalog Number | AG019KBB |
| Chemical Name | 3-(Carbamoylamino)-3-phenylpropanoic acid |
| IUPAC Name | 3-(carbamoylamino)-3-phenylpropanoic acid |
| InChI | InChI=1S/C10H12N2O3/c11-10(15)12-8(6-9(13)14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)(H3,11,12,15) |
| InChI Key | UYPUTCLPFMFUDK-UHFFFAOYSA-N |
| MDL Number | MFCD00484146 |
| Molecular Formula | C10H12N2O3 |
| Molecular Weight | 208.2139 |
| SMILES | NC(NC(C1=CC=CC=C1)CC(O)=O)=O |
| Synonyms | 3-(carbamoylamino)-3-phenylpropanoic acid,
3-[(aminocarbonyl)amino]-3-phenylpropanoic acid,
EN300-26263,
21428-07-9,
CBDivE_006132,
AC1MD4SB,
AC1Q4ZUI,
Cambridge id 5152868,
beta-Ureidohydrocinnamic acid,
Oprea1_304959,
SCHEMBL12832254,
CTK7J1793,
AKOS000264576,
AKOS016895772,
BBV-156822,
MCULE-5507358217,
NE51611,
AB00074584-01,
SR-01000197114,
SR-01000197114-1,
CID2830885,
|
| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.217g/mol |
| Monoisotopic Mass | 208.085g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number