| CAS Number | 1009260-27-8 |
| Catalog Number | AG019KF9 |
| Chemical Name | 4-methyl-2-({[(4-methylphenyl)methyl]carbamoyl}amino)pentanoic acid |
| IUPAC Name | 4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoic acid |
| InChI | InChI=1S/C15H22N2O3/c1-10(2)8-13(14(18)19)17-15(20)16-9-12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,18,19)(H2,16,17,20) |
| InChI Key | YLOIVAYOFFVRTA-UHFFFAOYSA-N |
| MDL Number | MFCD08729263 |
| Molecular Formula | C15H22N2O3 |
| Molecular Weight | 278.3468 |
| SMILES | CC(CC(C(O)=O)NC(NCC1=CC=C(C)C=C1)=O)C |
| Synonyms | 4-methyl-2-({[(4-methylphenyl)methyl]carbamoyl}amino)pentanoic acid,
1009260-27-8,
4-methyl-2-({[(4-methylbenzyl)amino]carbonyl}amino)pentanoic acid,
AC1MXFXF,
AC1Q1P6A,
CTK6A6628,
4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoic Acid,
AKOS000200908,
AKOS016900149,
MCULE-2636586301,
NE27055,
EN300-26719,
CID3814972,
|
| Complexity | 323 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.352g/mol |
| Monoisotopic Mass | 278.163g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number