| CAS Number | 954581-24-9 |
| Catalog Number | AG019NDR |
| Chemical Name | 1-(([(3-Bromobenzyl)amino]carbonyl)amino)cyclopentanecarboxylic acid |
| IUPAC Name | 1-[(3-bromophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C14H17BrN2O3/c15-11-5-3-4-10(8-11)9-16-13(20)17-14(12(18)19)6-1-2-7-14/h3-5,8H,1-2,6-7,9H2,(H,18,19)(H2,16,17,20) |
| InChI Key | SZPRVIXVJJYTMS-UHFFFAOYSA-N |
| MDL Number | MFCD09741693 |
| Molecular Formula | C14H17BrN2O3 |
| Molecular Weight | 341.2004 |
| SMILES | OC(C1(NC(NCC2=CC(Br)=CC=C2)=O)CCCC1)=O |
| Synonyms | 1-({[(3-bromophenyl)methyl]carbamoyl}amino)cyclopentane-1-carboxylic acid,
954581-24-9,
1-({[(3-bromobenzyl)amino]carbonyl}amino)cyclopentanecarboxylic acid,
AC1Q71ZZ,
CTK7G4185,
ZINC19258576,
AKOS000150948,
MCULE-7359585272,
NE28619,
EN300-40119,
AB01001894-01,
Z228367754,
|
| Complexity | 369 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.205g/mol |
| Monoisotopic Mass | 340.042g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number