ethyl 2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID: 264105
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| Compound Synonyms | 4815-29-6, Ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, 2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester, Ethyl 2-Amino-4H,5H,6H-Cyclopenta[B]Thiophene-3-Carboxylate, MFCD00102063, NSC 99004, ethyl 2-amino-4H,5H,6H-cyclopenta(b)thiophene-3-carboxylate, 2-AMINO-5,6-DIHYDRO-4H-CYCLOPENTA(B)THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER, Ethyl 2-aminocyclopenta[b]thiophene-3-carboxylate, NSC99004, Enamine_004067, ethyl 2-amino-5,6-dihydro-4h-cyclopenta[b]-thiophene-3-carboxylate, Oprea1_110819, Oprea1_176113, CHEMBL341097, SCHEMBL1976488, DTXSID80294965, HMS1405I19, ALBB-001590, BBL014356, NSC-99004, STK025737, AKOS000122157, CCG-249996, CS-W015046, FS-1649, PB42897, SY063739, DB-020453, EN300-02303, AH-357/03337056, Z56855769, F0016-0627, Ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate #, 2-Amino-cyclopentano-[b]-thiophen-3-carboxylic acid, 5,6-dihydro-, ethyl ester, 4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-amino-5,6-dihydro-, ethyl ester, 4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLIC ACID,2-AMINO-5,6-DIHYDRO-,ETHYL ESTER, 674-837-0 |
|---|---|
| Topological Polar Surface Area | 80.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 234.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P30542 |
| Iupac Name | ethyl 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C10H13NO2S |
| Prediction Swissadme | 1.0 |
| Inchi Key | BOJXCJDYZJSPMZ-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -5.335 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.018 |
| Compound Name | ethyl 2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 211.067 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.067 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 211.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.923558914285714 |
| Inchi | InChI=1S/C10H13NO2S/c1-2-13-10(12)8-6-4-3-5-7(6)14-9(8)11/h2-5,11H2,1H3 |
| Smiles | CCOC(=O)C1=C(SC2=C1CCC2)N |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all