| CAS Number | 1161428-99-4 |
| Catalog Number | AG01BBL2 |
| Chemical Name | 1-[(tert-butoxy)carbonyl]-3-(methoxymethyl)pyrrolidine-3-carboxylic acid |
| IUPAC Name | 3-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C12H21NO5/c1-11(2,3)18-10(16)13-6-5-12(7-13,8-17-4)9(14)15/h5-8H2,1-4H3,(H,14,15) |
| InChI Key | KLDROUZGWFRUEZ-UHFFFAOYSA-N |
| MDL Number | MFCD24471279 |
| Molecular Formula | C12H21NO5 |
| Molecular Weight | 259.2988 |
| SMILES | COCC1(C(O)=O)CN(C(OC(C)(C)C)=O)CC1 |
| Synonyms | 1-[(tert-butoxy)carbonyl]-3-(methoxymethyl)pyrrolidine-3-carboxylic acid,
1161428-99-4,
SCHEMBL3736290,
KLDROUZGWFRUEZ-UHFFFAOYSA-N,
AKOS033771935,
Z2146566254,
1-(tert-Butoxycarbonyl)-3-(methoxymethyl)pyrrolidine-3-carboxylic acid,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.302g/mol |
| Monoisotopic Mass | 259.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
Lot Number