| CAS Number | 1049155-76-1 |
| Catalog Number | AG019VVU |
| Chemical Name | 3-{[(Tert-butoxy)carbonyl](cyclopropyl)amino}propanoic acid |
| IUPAC Name | 3-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid |
| InChI | InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12(8-4-5-8)7-6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14) |
| InChI Key | FQUYVRWUCMVXMR-UHFFFAOYSA-N |
| MDL Number | MFCD06761709 |
| Molecular Formula | C11H19NO4 |
| Molecular Weight | 229.2729 |
| SMILES | CC(OC(N(C1CC1)CCC(O)=O)=O)(C)C |
| Synonyms | 1049155-76-1,
3-{[(tert-butoxy)carbonyl](cyclopropyl)amino}propanoic acid,
SCHEMBL6498594,
KS-00001KW7,
ZINC5066769,
MFCD06761709,
AKOS010065268,
Z2471262549,
3-{[(t-Butoxy)carbonyl](cyclopropyl)amino}propanoic acid,
|
| Complexity | 278 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.131g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.276g/mol |
| Monoisotopic Mass | 229.131g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number