| CAS Number | 485317-74-6 |
| Catalog Number | AG01A6UE(AGN-PC-0WO9SC) |
| Chemical Name | 3-({1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}formamido)propanoic acid |
| IUPAC Name | 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]propanoic acid |
| InChI | InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)15-8-4-5-9(15)11(18)14-7-6-10(16)17/h9H,4-8H2,1-3H3,(H,14,18)(H,16,17) |
| InChI Key | KBZSYMDKWLJELJ-UHFFFAOYSA-N |
| MDL Number | MFCD03231550 |
| Molecular Formula | C13H22N2O5 |
| Molecular Weight | 286.3242 |
| SMILES | CC(OC(N1C(C(NCCC(O)=O)=O)CCC1)=O)(C)C |
| Synonyms | 3-({1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl}formamido)propanoic acid,
485317-74-6,
AKOS026729224,
MCULE-3030461626,
NE46624,
Z1603248008,
|
| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.328g/mol |
| Monoisotopic Mass | 286.153g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number