| CAS Number | 1422344-11-3 |
| Catalog Number | AG00HWEM(AGN-PC-0WG3TM) |
| Chemical Name | 2-(1-(Tert-Butoxycarbonyl)-3-Methylpyrrolidin-3-Yl)Acetic Acid |
| IUPAC Name | 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid |
| InChI | InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-6-5-12(4,8-13)7-9(14)15/h5-8H2,1-4H3,(H,14,15) |
| InChI Key | APNKNUXIJKUGHR-UHFFFAOYSA-N |
| MDL Number | MFCD28110446 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | CC(C)(C)OC(=O)N1CCC(C)(CC(=O)O)C1 |
| Synonyms | 2-(1-(tert-Butoxycarbonyl)-3-methylpyrrolidin-3-yl)acetic acid,
1422344-11-3,
CS-0035982,
2-[3-Methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]acetic acid,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.147058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.3g/mol |
| Monoisotopic Mass | 243.147058g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8Ų |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number