(3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid

C112H186N26O20 — CID 158320327

IUPAC(3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid
SMILESCCC1(/N=C/C=O)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(C#N)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(C(=O)N=[N+]=[N-])C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(C(=O)O)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(C=O)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(N)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(NCC(=O)N2CCC[C@H]2C#N)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CN(C)C(=O)N1C[C@H]2CC(C#N)C[C@H]2C1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C19H31N5O2.C14H23N3O2.C13H21N5O2.C13H21N3O.C13H22N2O3.C13H22N2O2.C12H23N3O.C11H17N3O.C4H6O6/c1-4-19(21-11-17(25)24-7-5-6-16(24)10-20)8-14-12-23(13-15(14)9-19)18(26)22(2)3;1-4-14(15-5-6-18)7-11-9-17(10-12(11)8-14)13(19)16(2)3;1-4-13(11(19)15-16-14)5-9-7-18(8-10(9)6-13)12(20)17(2)3;1-4-13(9-14)5-10-7-16(8-11(10)6-13)12(17)15(2)3;1-4-13(11(16)17)5-9-7-15(8-10(9)6-13)12(18)14(2)3;1-4-13(9-16)5-10-7-15(8-11(10)6-13)12(17)14(2)3;1-4-12(13)5-9-7-15(8-10(9)6-12)11(16)14(2)3;1-13(2)11(15)14-6-9-3-8(5-12)4-10(9)7-14;5-1(3(7)8)2(6)4(9)10/h14-16,21H,4-9,11-13H2,1-3H3;5-6,11-12H,4,7-10H2,1-3H3;9-10H,4-8H2,1-3H3;10-11H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3,(H,16,17);9-11H,4-8H2,1-3H3;9-10H,4-8,13H2,1-3H3;8-10H,3-4,6-7H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/b;15-5+;;;;;;;/t14-,15+,16-,19?;11-,12+,14?;9-,10+,13?;10-,11+,13?;9-,10+,13?;10-,11+,13?;9-,10+,12?;8?,9-,10+;/m0......../s1
InChIKeyIMOYVLNMUJIYPR-UVILZNFTSA-N
MW2216.88 g/mol
LogP10.10
Rot. Bonds18

About (3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid

(3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid (PubChem CID 158320327) has the molecular formula C112H186N26O20 and a molecular weight of 2216.88 g/mol. Its IUPAC name is (3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name(3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid
PubChem CID158320327
Molecular FormulaC112H186N26O20
Molecular Weight2216.88 g/mol
Exact Mass2215.43
IUPAC Name(3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid
SMILESCCC1(/N=C/C=O)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(C#N)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(C(=O)N=[N+]=[N-])C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(C(=O)O)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(C=O)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(N)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(NCC(=O)N2CCC[C@H]2C#N)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CN(C)C(=O)N1C[C@H]2CC(C#N)C[C@H]2C1.O=C(O)C(O)C(O)C(=O)O
InChIInChI=1S/C19H31N5O2.C14H23N3O2.C13H21N5O2.C13H21N3O.C13H22N2O3.C13H22N2O2.C12H23N3O.C11H17N3O.C4H6O6/c1-4-19(21-11-17(25)24-7-5-6-16(24)10-20)8-14-12-23(13-15(14)9-19)18(26)22(2)3;1-4-14(15-5-6-18)7-11-9-17(10-12(11)8-14)13(19)16(2)3;1-4-13(11(19)15-16-14)5-9-7-18(8-10(9)6-13)12(20)17(2)3;1-4-13(9-14)5-10-7-16(8-11(10)6-13)12(17)15(2)3;1-4-13(11(16)17)5-9-7-15(8-10(9)6-13)12(18)14(2)3;1-4-13(9-16)5-10-7-15(8-11(10)6-13)12(17)14(2)3;1-4-12(13)5-9-7-15(8-10(9)6-12)11(16)14(2)3;1-13(2)11(15)14-6-9-3-8(5-12)4-10(9)7-14;5-1(3(7)8)2(6)4(9)10/h14-16,21H,4-9,11-13H2,1-3H3;5-6,11-12H,4,7-10H2,1-3H3;9-10H,4-8H2,1-3H3;10-11H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3,(H,16,17);9-11H,4-8H2,1-3H3;9-10H,4-8,13H2,1-3H3;8-10H,3-4,6-7H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/b;15-5+;;;;;;;/t14-,15+,16-,19?;11-,12+,14?;9-,10+,13?;10-,11+,13?;9-,10+,13?;10-,11+,13?;9-,10+,12?;8?,9-,10+;/m0......../s1
InChIKeyIMOYVLNMUJIYPR-UVILZNFTSA-N
XLogP10.10
TPSA582.82 Ų
H-Bond Donors7
H-Bond Acceptors23
Rotatable Bonds18
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002216.88
LogP ≤ 510.10
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid?
The IUPAC name of (3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid (CID 158320327) is (3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid.
What is the SMILES notation for (3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid?
The canonical SMILES for (3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid is CCC1(/N=C/C=O)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(C#N)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(C(=O)N=[N+]=[N-])C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(C(=O)O)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(C=O)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(N)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CCC1(NCC(=O)N2CCC[C@H]2C#N)C[C@H]2CN(C(=O)N(C)C)C[C@H]2C1.CN(C)C(=O)N1C[C@H]2CC(C#N)C[C@H]2C1.O=C(O)C(O)C(O)C(=O)O.
What is the InChIKey of (3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid?
The InChIKey is IMOYVLNMUJIYPR-UVILZNFTSA-N. The full InChI is InChI=1S/C19H31N5O2.C14H23N3O2.C13H21N5O2.C13H21N3O.C13H22N2O3.C13H22N2O2.C12H23N3O.C11H17N3O.C4H6O6/c1-4-19(21-11-17(25)24-7-5-6-16(24)10-20)8-14-12-23(13-15(14)9-19)18(26)22(2)3;1-4-14(15-5-6-18)7-11-9-17(10-12(11)8-14)13(19)16(2)3;1-4-13(11(19)15-16-14)5-9-7-18(8-10(9)6-13)12(20)17(2)3;1-4-13(9-14)5-10-7-16(8-11(10)6-13)12(17)15(2)3;1-4-13(11(16)17)5-9-7-15(8-10(9)6-13)12(18)14(2)3;1-4-13(9-16)5-10-7-15(8-11(10)6-13)12(17)14(2)3;1-4-12(13)5-9-7-15(8-10(9)6-12)11(16)14(2)3;1-13(2)11(15)14-6-9-3-8(5-12)4-10(9)7-14;5-1(3(7)8)2(6)4(9)10/h14-16,21H,4-9,11-13H2,1-3H3;5-6,11-12H,4,7-10H2,1-3H3;9-10H,4-8H2,1-3H3;10-11H,4-8H2,1-3H3;9-10H,4-8H2,1-3H3,(H,16,17);9-11H,4-8H2,1-3H3;9-10H,4-8,13H2,1-3H3;8-10H,3-4,6-7H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/b;15-5+;;;;;;;/t14-,15+,16-,19?;11-,12+,14?;9-,10+,13?;10-,11+,13?;9-,10+,13?;10-,11+,13?;9-,10+,12?;8?,9-,10+;/m0......../s1.
What are the key properties of (3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid?
(3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid has a molecular weight of 2216.88 g/mol, XLogP of 10.10, 18 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-5-amino-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-N,N-dimethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide;(3aS,6aR)-5-cyano-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-5-ethyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carbonyl azide;(3aR,6aS)-2-(dimethylcarbamoyl)-5-ethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxylic acid;(3aS,6aR)-5-ethyl-N,N-dimethyl-5-(2-oxoethylideneamino)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;(3aR,6aS)-5-ethyl-5-formyl-N,N-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide;2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 158320327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).