| CAS Number | 95525-82-9 |
| Catalog Number | AG01AA4R(AGN-PC-0W54VB) |
| Chemical Name | 2-Cyclopropyl-2-acetamidopropanoic acid |
| IUPAC Name | 2-acetamido-2-cyclopropylpropanoic acid |
| InChI | InChI=1S/C8H13NO3/c1-5(10)9-8(2,7(11)12)6-3-4-6/h6H,3-4H2,1-2H3,(H,9,10)(H,11,12) |
| InChI Key | VWQKLKHJGPCATE-UHFFFAOYSA-N |
| MDL Number | MFCD11105889 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | CC(NC(C(O)=O)(C1CC1)C)=O |
| Synonyms | 2-cyclopropyl-2-acetamidopropanoic acid,
95525-82-9,
N-acetyl-2-cyclopropylalanine,
AC1Q1KFO,
MFCD11105889,
AKOS009340782,
MCULE-2140171753,
NE60532,
BS-12188,
EN300-67073,
Z1259162160,
CID11137571,
2-acetamido-2-cyclopropyl-propanoic Acid,
Cyclopropaneacetic acid, alpha-(acetylamino)-alpha-methyl,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.196g/mol |
| Monoisotopic Mass | 171.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number