| CAS Number | 65595-02-0 |
| Catalog Number | AG01A2VC(AGN-PC-0OFC2J) |
| Chemical Name | 3-[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]propanoic acid |
| IUPAC Name | 3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid |
| InChI | InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-8-4-5-9(13)6-7-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1 |
| InChI Key | YERVFXLPVTWCHS-VIFPVBQESA-N |
| MDL Number | MFCD11226805 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | CC(OC(N1[C@H](CCC(O)=O)CCC1)=O)(C)C |
| Synonyms | 3-[(2S)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]propanoic acid,
65595-02-0,
ZINC34507450,
AKOS026730023,
NE55752,
3-[(2S)-1-(tert-Butoxycarbonyl)-2-pyrrolidinyl]propanoic acid,
CID10824137,
3-(N-Boc-2-pyrrolidinyl)propanoic acid,
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic Acid,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.303g/mol |
| Monoisotopic Mass | 243.147g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number