| CAS Number | 479413-50-8 |
| Catalog Number | AG01AIH8(AGN-PC-0LT9ZH) |
| Chemical Name | 6-[(cyclohexylcarbamoyl)amino]hexanoic acid |
| IUPAC Name | 6-(cyclohexylcarbamoylamino)hexanoic acid |
| InChI | InChI=1S/C13H24N2O3/c16-12(17)9-5-2-6-10-14-13(18)15-11-7-3-1-4-8-11/h11H,1-10H2,(H,16,17)(H2,14,15,18) |
| InChI Key | KFTVEPYSUSWBRD-UHFFFAOYSA-N |
| MDL Number | MFCD09734446 |
| Molecular Formula | C13H24N2O3 |
| Molecular Weight | 256.3413 |
| SMILES | OC(CCCCCNC(NC1CCCCC1)=O)=O |
| Synonyms | 6-[(cyclohexylcarbamoyl)amino]hexanoic acid,
6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID,
CHEMBL434374,
6-(3-cyclohexylureido)hexanoic acid,
479413-50-8,
4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID,
NC6,
1zd4,
AC1O4WJZ,
HMS3604D15,
BDBM50192966,
ZINC13493677,
AKOS000144586,
DB08258,
MCULE-4614457618,
NE37451,
6-(cyclohexylcarbamoylamino)hexanoic acid,
EN300-77810,
Z1210587596,
D09WQW,
CID6420120,
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.346g/mol |
| Monoisotopic Mass | 256.179g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number