| CAS Number | 926200-37-5 |
| Catalog Number | AG019LHC |
| Chemical Name | 3-(2-Naphthoylamino)propanoic acid |
| IUPAC Name | 3-(naphthalene-2-carbonylamino)propanoic acid |
| InChI | InChI=1S/C14H13NO3/c16-13(17)7-8-15-14(18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2,(H,15,18)(H,16,17) |
| InChI Key | UWCKYMSSNVSTQI-UHFFFAOYSA-N |
| MDL Number | MFCD09048521 |
| Molecular Formula | C14H13NO3 |
| Molecular Weight | 243.2579 |
| SMILES | OC(CCNC(C1=CC2=C(C=CC=C2)C=C1)=O)=O |
| Synonyms | 3-(naphthalen-2-ylformamido)propanoic acid,
3-(2-naphthoylamino)propanoic acid,
926200-37-5,
AC1Q75N0,
SCHEMBL17946070,
CTK7J4297,
ZINC20282125,
AKOS000132157,
MCULE-7919938711,
NE23055,
EN300-31262,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.262g/mol |
| Monoisotopic Mass | 243.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number