| CAS Number | 1158759-28-4 |
| Catalog Number | AG000H0V(AGN-PC-0WNH9E) |
| Chemical Name | 1-[(TERT-BUTOXY)CARBONYL]-3-CYANOPYRROLIDINE-3-CARBOXYLIC ACID |
| IUPAC Name | 3-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C11H16N2O4/c1-10(2,3)17-9(16)13-5-4-11(6-12,7-13)8(14)15/h4-5,7H2,1-3H3,(H,14,15) |
| InChI Key | HCNPLTDBJWRSOX-UHFFFAOYSA-N |
| MDL Number | MFCD12406590 |
| Molecular Formula | C11H16N2O4 |
| Molecular Weight | 240.2557 |
| SMILES | CC(OC(N1CC(C(O)=O)(C#N)CC1)=O)(C)C |
| Synonyms | 1158759-28-4,
1-[(tert-butoxy)carbonyl]-3-cyanopyrrolidine-3-carboxylic acid,
1-(TERT-BUTOXYCARBONYL)-3-CYANOPYRROLIDINE-3-CARBOXYLIC ACID,
SCHEMBL17632152,
KS-000008UH,
MFCD12406590,
AKOS030628531,
AS-52952,
1-Boc-3-cyanopyrrolidine-3-carboxylic acid,
CS-0052695,
Z2678251361,
1-[(t-Butoxy)carbonyl]-3-cyanopyrrolidine-3-carboxylic acid,
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| Complexity | 390 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.259g/mol |
| Monoisotopic Mass | 240.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 90.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number