| CAS Number | 1396965-10-8 |
| Catalog Number | AG019KDX |
| Chemical Name | 2-(([(4-Fluorobenzyl)amino]carbonyl)amino)pentanoic acid |
| IUPAC Name | 2-[(4-fluorophenyl)methylcarbamoylamino]pentanoic acid |
| InChI | InChI=1S/C13H17FN2O3/c1-2-3-11(12(17)18)16-13(19)15-8-9-4-6-10(14)7-5-9/h4-7,11H,2-3,8H2,1H3,(H,17,18)(H2,15,16,19) |
| InChI Key | PMQAYERLSSGGCA-UHFFFAOYSA-N |
| MDL Number | MFCD08691377 |
| Molecular Formula | C13H17FN2O3 |
| Molecular Weight | 268.2841 |
| SMILES | CCCC(C(O)=O)NC(NCC1=CC=C(F)C=C1)=O |
| Synonyms | 2-({[(4-fluorophenyl)methyl]carbamoyl}amino)pentanoic acid,
1396965-10-8,
2-({[(4-fluorobenzyl)amino]carbonyl}amino)pentanoic acid,
AC1Q2UML,
CTK6D3520,
AKOS000200954,
MCULE-1051694633,
NE36543,
EN300-26558,
Z223129716,
|
| Complexity | 304 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.288g/mol |
| Monoisotopic Mass | 268.122g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number