| CAS Number | 848316-26-7 |
| Catalog Number | AG019OJ2 |
| Chemical Name | 1-[(Cyclopropylcarbamoyl)methyl]cyclohexane-1-carboxylic acid |
| IUPAC Name | 1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C12H19NO3/c14-10(13-9-4-5-9)8-12(11(15)16)6-2-1-3-7-12/h9H,1-8H2,(H,13,14)(H,15,16) |
| InChI Key | SYNZANFTXWYQOQ-UHFFFAOYSA-N |
| MDL Number | MFCD07329911 |
| Molecular Formula | C12H19NO3 |
| Molecular Weight | 225.2842 |
| SMILES | OC(C1(CCCCC1)CC(NC1CC1)=O)=O |
| Synonyms | 1-[(cyclopropylcarbamoyl)methyl]cyclohexane-1-carboxylic acid,
848316-26-7,
1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexanecarboxylic acid,
AC1NLR8J,
AC1Q71YF,
CTK7G0980,
ZINC4207361,
AKOS009017344,
MCULE-4749926636,
NE27756,
EN300-14131,
SR-01000073725,
SR-01000073725-1,
Z96091877,
1-[2-(cyclopropylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid,
CID4962847,
1-(cyclopropylcarbamoylmethyl)cyclohexane-1-carboxylic Acid,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.288g/mol |
| Monoisotopic Mass | 225.136g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number