| CAS Number | 926216-31-1 |
| Catalog Number | AG01A8SJ(AGN-PC-0WNLE9) |
| Chemical Name | 3-(Cyclobutylformamido)propanoic acid |
| IUPAC Name | 3-(cyclobutanecarbonylamino)propanoic acid |
| InChI | InChI=1S/C8H13NO3/c10-7(11)4-5-9-8(12)6-2-1-3-6/h6H,1-5H2,(H,9,12)(H,10,11) |
| InChI Key | SSDGGGYRYVACOP-UHFFFAOYSA-N |
| MDL Number | MFCD09050952 |
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.1937 |
| SMILES | OC(CCNC(C1CCC1)=O)=O |
| Synonyms | 3-(cyclobutylformamido)propanoic acid,
N-(Cyclobutylcarbonyl)-beta-alanine,
926216-31-1,
3-(Cyclobutanecarboxamido)propanoic acid,
AC1Q75N9,
CTK7F7469,
ZINC22150931,
AKOS000134370,
MCULE-2845215122,
NE53315,
AJ-81172,
NS-01398,
EN300-62449,
3-[(CYCLOBUTYLCARBONYL)AMINO]PROPANOIC ACID,
|
| Complexity | 187 |
| 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 | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number