| CAS Number | 1779899-46-5 |
| Catalog Number | AG01DTQ3(AGN-PC-09Q67F) |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-4-ethylpyrrolidine-3-carboxylic acid |
| IUPAC Name | 4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C12H21NO4/c1-5-8-6-13(7-9(8)10(14)15)11(16)17-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,15) |
| InChI Key | AYHWHPDMLFMSLP-UHFFFAOYSA-N |
| MDL Number | MFCD18073852 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | O=C(N1CC(C(O)=O)C(CC)C1)OC(C)(C)C |
| Synonyms | 1779899-46-5,
SCHEMBL1933164,
1310731-87-3,
MFCD18073852,
1-(t-Butoxycarbonyl)-4-ethylpyrrolidine-3-carboxylic acid,
1-(tert-Butoxycarbonyl)-4-ethylpyrrolidine-3-carboxylic acid,
cis-1-(tert-Butoxycarbonyl)-4-ethylpyrrolidine-3-carboxylic acid,
TRANS-1-(TERT-BUTOXYCARBONYL)-4-ETHYLPYRROLIDINE-3-CARBOXYLIC ACID,
(3R,4R)-4-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid,
4-Ethyl-pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester,
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| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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