Ethyl 2-Aminopyrrole-3-carboxylate - CAS 108290-86-4
Catalog: |
BB002232 |
Product Name: |
Ethyl 2-Aminopyrrole-3-carboxylate |
CAS: |
108290-86-4 |
Synonyms: |
2-amino-1H-pyrrole-3-carboxylic acid ethyl ester; ethyl 2-amino-1H-pyrrole-3-carboxylate |
IUPAC Name: | ethyl 2-amino-1H-pyrrole-3-carboxylate |
Description: | 2-Amino-1H-Pyrrole-3-carboxylic acid ethyl ester acts as a reagent in the synthesis of pyrrolo pyrimidines which functions as glucocerebrosidase activators use in treatment of medical disorders. |
Molecular Weight: | 154.17 |
Molecular Formula: | C7H10N2O2 |
Canonical SMILES: | CCOC(=O)C1=C(NC=C1)N |
InChI: | InChI=1S/C7H10N2O2/c1-2-11-7(10)5-3-4-9-6(5)8/h3-4,9H,2,8H2,1H3 |
InChI Key: | XKJUSNOUOLSNJN-UHFFFAOYSA-N |
LogP: | 1.35480 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021158634-A1 | Irak degraders and uses thereof | 20200203 |
CN-110627701-A | Continuous preparation method of 2-aminopyrrole-3-carboxylic acid ethyl ester | 20191125 |
CN-110627701-B | Continuous preparation method of 2-aminopyrrole-3-carboxylic acid ethyl ester | 20191125 |
WO-2021103257-A1 | Continuous preparation method for 2-amino-pyrrole-3-carboxylate | 20191125 |
CN-111902403-A | Substituted alkynylene compounds as anticancer agents | 20180117 |
Complexity: | 149 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.074227566 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.074227566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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