Pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester - CAS 170844-49-2
Catalog: |
BB012677 |
Product Name: |
Pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester |
CAS: |
170844-49-2 |
Synonyms: |
1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate |
IUPAC Name: | 1-O-tert-butyl 3-O-ethyl pyrrolidine-1,3-dicarboxylate |
Description: | Pyrrolidine-1,3-dicarboxylic acid 1-tert-butyl ester 3-ethyl ester (CAS# 170844-49-2) is a useful research chemical. |
Molecular Weight: | 243.30 |
Molecular Formula: | C12H21NO4 |
Canonical SMILES: | CCOC(=O)C1CCN(C1)C(=O)OC(C)(C)C |
InChI: | InChI=1S/C12H21NO4/c1-5-16-10(14)9-6-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3 |
InChI Key: | PKDQVUYUWUHNMG-UHFFFAOYSA-N |
Boiling Point: | 305.592 °C at 760 mmHg |
Density: | 1.101 g/cm3 |
MDL: | MFCD03791256 |
LogP: | 1.74440 |
Publication Number | Title | Priority Date |
US-2021230162-A1 | Spiro compounds as inhibitors of kras | 20200120 |
TW-201946629-A | MAT2A heterobicyclic inhibitor and method for treating cancer | 20180330 |
CN-111936499-A | Heterobicyclic inhibitors of MAT2A and methods for treating cancer | 20180330 |
BR-112020020104-A2 | heterobyclic inhibitors of mat2a and methods of use for the treatment of cancer | 20180330 |
KR-20200138769-A | Heterobicyclic inhibitors of Mat2A and methods of use thereof for cancer treatment | 20180330 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.14705815 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Pyrrolidines
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