| CAS Number | 954567-53-4 |
| Catalog Number | AG019WIR(AGN-PC-0WO73R) |
| Chemical Name | 1-[(methylcarbamoyl)amino]cyclopentane-1-carboxylic acid |
| IUPAC Name | 1-(methylcarbamoylamino)cyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C8H14N2O3/c1-9-7(13)10-8(6(11)12)4-2-3-5-8/h2-5H2,1H3,(H,11,12)(H2,9,10,13) |
| InChI Key | CBPACNWSZHPURF-UHFFFAOYSA-N |
| MDL Number | MFCD09741262 |
| Molecular Formula | C8H14N2O3 |
| Molecular Weight | 186.2084 |
| SMILES | CNC(NC1(C(O)=O)CCCC1)=O |
| Synonyms | 1-[(methylcarbamoyl)amino]cyclopentane-1-carboxylic acid,
954567-53-4,
1-(3-Methylureido)cyclopentane-1-carboxylic acid,
AC1Q40OP,
CTK6I4418,
ZINC19257293,
AKOS000150731,
MCULE-3731700802,
NE26434,
EN300-52118,
AB01005442-01,
Z228368286,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.211g/mol |
| Monoisotopic Mass | 186.1g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number