5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide

C173H240N20O21S7 — CID 157139015

IUPAC5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide
SMILESC.CC(C)C(C)c1ccc(-c2nn[nH]n2)s1.CC(C)C(C)c1cccs1.CC(C)Cc1ccc(C(=O)O)s1.CC(C)Cc1ccc(C(N)=O)s1.CC(C)Cc1ccc(C2NC(=O)N(C)C2=O)cc1.CC(C)Cc1ccc(C2NC(=O)NC2=O)cc1.CC(C)Cc1ccc(CN2CCOCC2)cc1.CC(C)Cc1ccc(N2CCOCC2)cc1.CC(C)Cc1cccc(C2(C)NC(=O)NC2=O)c1.CC(C)Cc1cccc(C2NC(=O)NC2=O)c1.CC(C)Cc1cccc(CC2NC(=O)NC2=O)c1.CC(C)Cc1ccncc1.CC(C)[C@@H](C(N)=O)c1ccc(C(=O)O)s1.CC(C)[C@@H](C(N)=O)c1cccs1.COC(=O)c1ccc(CC(C)C)s1
InChIInChI=1S/C15H23NO.3C14H18N2O2.C14H21NO.2C13H16N2O2.C10H14N4S.C10H13NO3S.C10H14O2S.2C9H13NOS.C9H13N.C9H12O2S.C9H14S.CH4/c1-13(2)11-14-3-5-15(6-4-14)12-16-7-9-17-10-8-16;1-9(2)8-10-4-6-11(7-5-10)12-13(17)16(3)14(18)15-12;1-9(2)7-10-5-4-6-11(8-10)14(3)12(17)15-13(18)16-14;1-9(2)6-10-4-3-5-11(7-10)8-12-13(17)16-14(18)15-12;1-12(2)11-13-3-5-14(6-4-13)15-7-9-16-10-8-15;1-8(2)7-9-3-5-10(6-4-9)11-12(16)15-13(17)14-11;1-8(2)6-9-4-3-5-10(7-9)11-12(16)15-13(17)14-11;1-6(2)7(3)8-4-5-9(15-8)10-11-13-14-12-10;1-5(2)8(9(11)12)6-3-4-7(15-6)10(13)14;1-7(2)6-8-4-5-9(13-8)10(11)12-3;1-6(2)5-7-3-4-8(12-7)9(10)11;1-6(2)8(9(10)11)7-4-3-5-12-7;1-8(2)7-9-3-5-10-6-4-9;1-6(2)5-7-3-4-8(12-7)9(10)11;1-7(2)8(3)9-5-4-6-10-9;/h3-6,13H,7-12H2,1-2H3;4-7,9,12H,8H2,1-3H3,(H,15,18);4-6,8-9H,7H2,1-3H3,(H2,15,16,17,18);3-5,7,9,12H,6,8H2,1-2H3,(H2,15,16,17,18);3-6,12H,7-11H2,1-2H3;3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17);3-5,7-8,11H,6H2,1-2H3,(H2,14,15,16,17);4-7H,1-3H3,(H,11,12,13,14);3-5,8H,1-2H3,(H2,11,12)(H,13,14);4-5,7H,6H2,1-3H3;3-4,6H,5H2,1-2H3,(H2,10,11);3-6,8H,1-2H3,(H2,10,11);3-6,8H,7H2,1-2H3;3-4,6H,5H2,1-2H3,(H,10,11);4-8H,1-3H3;1H4/t;;;;;;;;8-;;;8-;;;;/m........1..1..../s1
InChIKeyAJYWCJXVPRIOMZ-IJIAMRJASA-N
MW3160.41 g/mol
LogP34.83
Rot. Bonds46

About 5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide

5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide (PubChem CID 157139015) has the molecular formula C173H240N20O21S7 and a molecular weight of 3160.41 g/mol. Its IUPAC name is 5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide.

Molecular Properties

Compound Name5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide
PubChem CID157139015
Molecular FormulaC173H240N20O21S7
Molecular Weight3160.41 g/mol
Exact Mass3157.64
IUPAC Name5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide
SMILESC.CC(C)C(C)c1ccc(-c2nn[nH]n2)s1.CC(C)C(C)c1cccs1.CC(C)Cc1ccc(C(=O)O)s1.CC(C)Cc1ccc(C(N)=O)s1.CC(C)Cc1ccc(C2NC(=O)N(C)C2=O)cc1.CC(C)Cc1ccc(C2NC(=O)NC2=O)cc1.CC(C)Cc1ccc(CN2CCOCC2)cc1.CC(C)Cc1ccc(N2CCOCC2)cc1.CC(C)Cc1cccc(C2(C)NC(=O)NC2=O)c1.CC(C)Cc1cccc(C2NC(=O)NC2=O)c1.CC(C)Cc1cccc(CC2NC(=O)NC2=O)c1.CC(C)Cc1ccncc1.CC(C)[C@@H](C(N)=O)c1ccc(C(=O)O)s1.CC(C)[C@@H](C(N)=O)c1cccs1.COC(=O)c1ccc(CC(C)C)s1
InChIInChI=1S/C15H23NO.3C14H18N2O2.C14H21NO.2C13H16N2O2.C10H14N4S.C10H13NO3S.C10H14O2S.2C9H13NOS.C9H13N.C9H12O2S.C9H14S.CH4/c1-13(2)11-14-3-5-15(6-4-14)12-16-7-9-17-10-8-16;1-9(2)8-10-4-6-11(7-5-10)12-13(17)16(3)14(18)15-12;1-9(2)7-10-5-4-6-11(8-10)14(3)12(17)15-13(18)16-14;1-9(2)6-10-4-3-5-11(7-10)8-12-13(17)16-14(18)15-12;1-12(2)11-13-3-5-14(6-4-13)15-7-9-16-10-8-15;1-8(2)7-9-3-5-10(6-4-9)11-12(16)15-13(17)14-11;1-8(2)6-9-4-3-5-10(7-9)11-12(16)15-13(17)14-11;1-6(2)7(3)8-4-5-9(15-8)10-11-13-14-12-10;1-5(2)8(9(11)12)6-3-4-7(15-6)10(13)14;1-7(2)6-8-4-5-9(13-8)10(11)12-3;1-6(2)5-7-3-4-8(12-7)9(10)11;1-6(2)8(9(10)11)7-4-3-5-12-7;1-8(2)7-9-3-5-10-6-4-9;1-6(2)5-7-3-4-8(12-7)9(10)11;1-7(2)8(3)9-5-4-6-10-9;/h3-6,13H,7-12H2,1-2H3;4-7,9,12H,8H2,1-3H3,(H,15,18);4-6,8-9H,7H2,1-3H3,(H2,15,16,17,18);3-5,7,9,12H,6,8H2,1-2H3,(H2,15,16,17,18);3-6,12H,7-11H2,1-2H3;3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17);3-5,7-8,11H,6H2,1-2H3,(H2,14,15,16,17);4-7H,1-3H3,(H,11,12,13,14);3-5,8H,1-2H3,(H2,11,12)(H,13,14);4-5,7H,6H2,1-3H3;3-4,6H,5H2,1-2H3,(H2,10,11);3-6,8H,1-2H3,(H2,10,11);3-6,8H,7H2,1-2H3;3-4,6H,5H2,1-2H3,(H,10,11);4-8H,1-3H3;1H4/t;;;;;;;;8-;;;8-;;;;/m........1..1..../s1
InChIKeyAJYWCJXVPRIOMZ-IJIAMRJASA-N
XLogP34.83
TPSA604.67 Ų
H-Bond Donors15
H-Bond Acceptors32
Rotatable Bonds46
Heavy Atoms221
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003160.41
LogP ≤ 534.83
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide?
The IUPAC name of 5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide (CID 157139015) is 5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide.
What is the SMILES notation for 5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide?
The canonical SMILES for 5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide is C.CC(C)C(C)c1ccc(-c2nn[nH]n2)s1.CC(C)C(C)c1cccs1.CC(C)Cc1ccc(C(=O)O)s1.CC(C)Cc1ccc(C(N)=O)s1.CC(C)Cc1ccc(C2NC(=O)N(C)C2=O)cc1.CC(C)Cc1ccc(C2NC(=O)NC2=O)cc1.CC(C)Cc1ccc(CN2CCOCC2)cc1.CC(C)Cc1ccc(N2CCOCC2)cc1.CC(C)Cc1cccc(C2(C)NC(=O)NC2=O)c1.CC(C)Cc1cccc(C2NC(=O)NC2=O)c1.CC(C)Cc1cccc(CC2NC(=O)NC2=O)c1.CC(C)Cc1ccncc1.CC(C)[C@@H](C(N)=O)c1ccc(C(=O)O)s1.CC(C)[C@@H](C(N)=O)c1cccs1.COC(=O)c1ccc(CC(C)C)s1.
What is the InChIKey of 5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide?
The InChIKey is AJYWCJXVPRIOMZ-IJIAMRJASA-N. The full InChI is InChI=1S/C15H23NO.3C14H18N2O2.C14H21NO.2C13H16N2O2.C10H14N4S.C10H13NO3S.C10H14O2S.2C9H13NOS.C9H13N.C9H12O2S.C9H14S.CH4/c1-13(2)11-14-3-5-15(6-4-14)12-16-7-9-17-10-8-16;1-9(2)8-10-4-6-11(7-5-10)12-13(17)16(3)14(18)15-12;1-9(2)7-10-5-4-6-11(8-10)14(3)12(17)15-13(18)16-14;1-9(2)6-10-4-3-5-11(7-10)8-12-13(17)16-14(18)15-12;1-12(2)11-13-3-5-14(6-4-13)15-7-9-16-10-8-15;1-8(2)7-9-3-5-10(6-4-9)11-12(16)15-13(17)14-11;1-8(2)6-9-4-3-5-10(7-9)11-12(16)15-13(17)14-11;1-6(2)7(3)8-4-5-9(15-8)10-11-13-14-12-10;1-5(2)8(9(11)12)6-3-4-7(15-6)10(13)14;1-7(2)6-8-4-5-9(13-8)10(11)12-3;1-6(2)5-7-3-4-8(12-7)9(10)11;1-6(2)8(9(10)11)7-4-3-5-12-7;1-8(2)7-9-3-5-10-6-4-9;1-6(2)5-7-3-4-8(12-7)9(10)11;1-7(2)8(3)9-5-4-6-10-9;/h3-6,13H,7-12H2,1-2H3;4-7,9,12H,8H2,1-3H3,(H,15,18);4-6,8-9H,7H2,1-3H3,(H2,15,16,17,18);3-5,7,9,12H,6,8H2,1-2H3,(H2,15,16,17,18);3-6,12H,7-11H2,1-2H3;3-6,8,11H,7H2,1-2H3,(H2,14,15,16,17);3-5,7-8,11H,6H2,1-2H3,(H2,14,15,16,17);4-7H,1-3H3,(H,11,12,13,14);3-5,8H,1-2H3,(H2,11,12)(H,13,14);4-5,7H,6H2,1-3H3;3-4,6H,5H2,1-2H3,(H2,10,11);3-6,8H,1-2H3,(H2,10,11);3-6,8H,7H2,1-2H3;3-4,6H,5H2,1-2H3,(H,10,11);4-8H,1-3H3;1H4/t;;;;;;;;8-;;;8-;;;;/m........1..1..../s1.
What are the key properties of 5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide?
5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide has a molecular weight of 3160.41 g/mol, XLogP of 34.83, 46 rotatable bonds, 15 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxylic acid;methane;2-(3-methylbutan-2-yl)thiophene;5-[5-(3-methylbutan-2-yl)thiophen-2-yl]-2H-tetrazole;3-methyl-5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-methyl-5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;methyl 5-(2-methylpropyl)thiophene-2-carboxylate;5-[3-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[4-(2-methylpropyl)phenyl]imidazolidine-2,4-dione;5-[[3-(2-methylpropyl)phenyl]methyl]imidazolidine-2,4-dione;4-[[4-(2-methylpropyl)phenyl]methyl]morpholine;4-[4-(2-methylpropyl)phenyl]morpholine;4-(2-methylpropyl)pyridine;5-(2-methylpropyl)thiophene-2-carboxamide;5-(2-methylpropyl)thiophene-2-carboxylic acid;(2S)-3-methyl-2-thiophen-2-ylbutanamide is sourced from PubChem (CID 157139015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).