5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one

C205H300N34O40 — CID 158122628

IUPAC5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one
SMILESCC(C)C(C)C(=O)N1CC2(CCCN2C)C1=O.CC(C)C(N)C(=O)N1CC2(CCCN2)C1=O.CC(C)C(N)C(=O)N1CC2(CCCN2C(=O)C(C)C(C)O)C1=O.CC(C)C(N)C(=O)N1CC2(CCCN2C(=O)C2CCCN2C(=O)C(N)C(C)O)C1=O.CC(C)C(N)C(=O)N1CC2(CCCN2C)C1=O.CC(O)C(N)C(=O)N1CC2(CCCN2C(=O)C2CCCN2C(=O)C(NC(=O)OCc2ccccc2)C(C)O)C1=O.CN1C(=O)C2(CCCN2C)C1c1ccccc1.CN1CC2(CCCN2C)C1=O.CN1CCCC12C(=O)CC2c1ccccc1.CN1CCCC12CCC2=O.COC(=O)CC(C(=O)N1CC2(CCCN2C(=O)OCc2ccccc2)C1=O)C(C)O.O=C(OCc1ccccc1)N1CCCC12CCC2=O.O=C1CC(c2ccccc2)C12CCCN2.O=C1CCC12CCCN2.O=C1NCC12CCCN2
InChIInChI=1S/C27H37N5O8.C21H26N2O7.C20H33N5O5.C16H27N3O4.C15H17NO3.C14H18N2O.C14H17NO.C13H22N2O2.C13H15NO.C12H21N3O2.C11H19N3O2.C8H14N2O.C8H13NO.C7H11NO.C6H10N2O/c1-16(33)20(28)23(36)31-15-27(25(31)38)11-7-13-32(27)22(35)19-10-6-12-30(19)24(37)21(17(2)34)29-26(39)40-14-18-8-4-3-5-9-18;1-14(24)16(11-17(25)29-2)18(26)22-13-21(19(22)27)9-6-10-23(21)20(28)30-12-15-7-4-3-5-8-15;1-11(2)14(21)17(28)24-10-20(19(24)30)7-5-9-25(20)16(27)13-6-4-8-23(13)18(29)15(22)12(3)26;1-9(2)12(17)14(22)18-8-16(15(18)23)6-5-7-19(16)13(21)10(3)11(4)20;17-13-7-9-15(13)8-4-10-16(15)14(18)19-11-12-5-2-1-3-6-12;1-15-10-6-9-14(15)12(16(2)13(14)17)11-7-4-3-5-8-11;1-15-9-5-8-14(15)12(10-13(14)16)11-6-3-2-4-7-11;1-9(2)10(3)11(16)15-8-13(12(15)17)6-5-7-14(13)4;15-12-9-11(10-5-2-1-3-6-10)13(12)7-4-8-14-13;1-8(2)9(13)10(16)15-7-12(11(15)17)5-4-6-14(12)3;1-7(2)8(12)9(15)14-6-11(10(14)16)4-3-5-13-11;1-9-6-8(7(9)11)4-3-5-10(8)2;1-9-6-2-4-8(9)5-3-7(8)10;9-6-2-4-7(6)3-1-5-8-7;9-5-6(4-7-5)2-1-3-8-6/h3-5,8-9,16-17,19-21,33-34H,6-7,10-15,28H2,1-2H3,(H,29,39);3-5,7-8,14,16,24H,6,9-13H2,1-2H3;11-15,26H,4-10,21-22H2,1-3H3;9-12,20H,5-8,17H2,1-4H3;1-3,5-6H,4,7-11H2;3-5,7-8,12H,6,9-10H2,1-2H3;2-4,6-7,12H,5,8-10H2,1H3;9-10H,5-8H2,1-4H3;1-3,5-6,11,14H,4,7-9H2;8-9H,4-7,13H2,1-3H3;7-8,13H,3-6,12H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;8H,1-5H2;8H,1-4H2,(H,7,9)
InChIKeyFRUAQEKOZVZUGQ-UHFFFAOYSA-N
MW3880.85 g/mol
LogP7.37
Rot. Bonds34

About 5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one

5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one (PubChem CID 158122628) has the molecular formula C205H300N34O40 and a molecular weight of 3880.85 g/mol. Its IUPAC name is 5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one
PubChem CID158122628
Molecular FormulaC205H300N34O40
Molecular Weight3880.85 g/mol
Exact Mass3878.25
IUPAC Name5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one
SMILESCC(C)C(C)C(=O)N1CC2(CCCN2C)C1=O.CC(C)C(N)C(=O)N1CC2(CCCN2)C1=O.CC(C)C(N)C(=O)N1CC2(CCCN2C(=O)C(C)C(C)O)C1=O.CC(C)C(N)C(=O)N1CC2(CCCN2C(=O)C2CCCN2C(=O)C(N)C(C)O)C1=O.CC(C)C(N)C(=O)N1CC2(CCCN2C)C1=O.CC(O)C(N)C(=O)N1CC2(CCCN2C(=O)C2CCCN2C(=O)C(NC(=O)OCc2ccccc2)C(C)O)C1=O.CN1C(=O)C2(CCCN2C)C1c1ccccc1.CN1CC2(CCCN2C)C1=O.CN1CCCC12C(=O)CC2c1ccccc1.CN1CCCC12CCC2=O.COC(=O)CC(C(=O)N1CC2(CCCN2C(=O)OCc2ccccc2)C1=O)C(C)O.O=C(OCc1ccccc1)N1CCCC12CCC2=O.O=C1CC(c2ccccc2)C12CCCN2.O=C1CCC12CCCN2.O=C1NCC12CCCN2
InChIInChI=1S/C27H37N5O8.C21H26N2O7.C20H33N5O5.C16H27N3O4.C15H17NO3.C14H18N2O.C14H17NO.C13H22N2O2.C13H15NO.C12H21N3O2.C11H19N3O2.C8H14N2O.C8H13NO.C7H11NO.C6H10N2O/c1-16(33)20(28)23(36)31-15-27(25(31)38)11-7-13-32(27)22(35)19-10-6-12-30(19)24(37)21(17(2)34)29-26(39)40-14-18-8-4-3-5-9-18;1-14(24)16(11-17(25)29-2)18(26)22-13-21(19(22)27)9-6-10-23(21)20(28)30-12-15-7-4-3-5-8-15;1-11(2)14(21)17(28)24-10-20(19(24)30)7-5-9-25(20)16(27)13-6-4-8-23(13)18(29)15(22)12(3)26;1-9(2)12(17)14(22)18-8-16(15(18)23)6-5-7-19(16)13(21)10(3)11(4)20;17-13-7-9-15(13)8-4-10-16(15)14(18)19-11-12-5-2-1-3-6-12;1-15-10-6-9-14(15)12(16(2)13(14)17)11-7-4-3-5-8-11;1-15-9-5-8-14(15)12(10-13(14)16)11-6-3-2-4-7-11;1-9(2)10(3)11(16)15-8-13(12(15)17)6-5-7-14(13)4;15-12-9-11(10-5-2-1-3-6-10)13(12)7-4-8-14-13;1-8(2)9(13)10(16)15-7-12(11(15)17)5-4-6-14(12)3;1-7(2)8(12)9(15)14-6-11(10(14)16)4-3-5-13-11;1-9-6-8(7(9)11)4-3-5-10(8)2;1-9-6-2-4-8(9)5-3-7(8)10;9-6-2-4-7(6)3-1-5-8-7;9-5-6(4-7-5)2-1-3-8-6/h3-5,8-9,16-17,19-21,33-34H,6-7,10-15,28H2,1-2H3,(H,29,39);3-5,7-8,14,16,24H,6,9-13H2,1-2H3;11-15,26H,4-10,21-22H2,1-3H3;9-12,20H,5-8,17H2,1-4H3;1-3,5-6H,4,7-11H2;3-5,7-8,12H,6,9-10H2,1-2H3;2-4,6-7,12H,5,8-10H2,1H3;9-10H,5-8H2,1-4H3;1-3,5-6,11,14H,4,7-9H2;8-9H,4-7,13H2,1-3H3;7-8,13H,3-6,12H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;8H,1-5H2;8H,1-4H2,(H,7,9)
InChIKeyFRUAQEKOZVZUGQ-UHFFFAOYSA-N
XLogP7.37
TPSA966.82 Ų
H-Bond Donors17
H-Bond Acceptors56
Rotatable Bonds34
Heavy Atoms279
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003880.85
LogP ≤ 57.37
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1056

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one?
The IUPAC name of 5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one (CID 158122628) is 5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one.
What is the SMILES notation for 5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one?
The canonical SMILES for 5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one is CC(C)C(C)C(=O)N1CC2(CCCN2C)C1=O.CC(C)C(N)C(=O)N1CC2(CCCN2)C1=O.CC(C)C(N)C(=O)N1CC2(CCCN2C(=O)C(C)C(C)O)C1=O.CC(C)C(N)C(=O)N1CC2(CCCN2C(=O)C2CCCN2C(=O)C(N)C(C)O)C1=O.CC(C)C(N)C(=O)N1CC2(CCCN2C)C1=O.CC(O)C(N)C(=O)N1CC2(CCCN2C(=O)C2CCCN2C(=O)C(NC(=O)OCc2ccccc2)C(C)O)C1=O.CN1C(=O)C2(CCCN2C)C1c1ccccc1.CN1CC2(CCCN2C)C1=O.CN1CCCC12C(=O)CC2c1ccccc1.CN1CCCC12CCC2=O.COC(=O)CC(C(=O)N1CC2(CCCN2C(=O)OCc2ccccc2)C1=O)C(C)O.O=C(OCc1ccccc1)N1CCCC12CCC2=O.O=C1CC(c2ccccc2)C12CCCN2.O=C1CCC12CCCN2.O=C1NCC12CCCN2.
What is the InChIKey of 5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one?
The InChIKey is FRUAQEKOZVZUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O8.C21H26N2O7.C20H33N5O5.C16H27N3O4.C15H17NO3.C14H18N2O.C14H17NO.C13H22N2O2.C13H15NO.C12H21N3O2.C11H19N3O2.C8H14N2O.C8H13NO.C7H11NO.C6H10N2O/c1-16(33)20(28)23(36)31-15-27(25(31)38)11-7-13-32(27)22(35)19-10-6-12-30(19)24(37)21(17(2)34)29-26(39)40-14-18-8-4-3-5-9-18;1-14(24)16(11-17(25)29-2)18(26)22-13-21(19(22)27)9-6-10-23(21)20(28)30-12-15-7-4-3-5-8-15;1-11(2)14(21)17(28)24-10-20(19(24)30)7-5-9-25(20)16(27)13-6-4-8-23(13)18(29)15(22)12(3)26;1-9(2)12(17)14(22)18-8-16(15(18)23)6-5-7-19(16)13(21)10(3)11(4)20;17-13-7-9-15(13)8-4-10-16(15)14(18)19-11-12-5-2-1-3-6-12;1-15-10-6-9-14(15)12(16(2)13(14)17)11-7-4-3-5-8-11;1-15-9-5-8-14(15)12(10-13(14)16)11-6-3-2-4-7-11;1-9(2)10(3)11(16)15-8-13(12(15)17)6-5-7-14(13)4;15-12-9-11(10-5-2-1-3-6-10)13(12)7-4-8-14-13;1-8(2)9(13)10(16)15-7-12(11(15)17)5-4-6-14(12)3;1-7(2)8(12)9(15)14-6-11(10(14)16)4-3-5-13-11;1-9-6-8(7(9)11)4-3-5-10(8)2;1-9-6-2-4-8(9)5-3-7(8)10;9-6-2-4-7(6)3-1-5-8-7;9-5-6(4-7-5)2-1-3-8-6/h3-5,8-9,16-17,19-21,33-34H,6-7,10-15,28H2,1-2H3,(H,29,39);3-5,7-8,14,16,24H,6,9-13H2,1-2H3;11-15,26H,4-10,21-22H2,1-3H3;9-12,20H,5-8,17H2,1-4H3;1-3,5-6H,4,7-11H2;3-5,7-8,12H,6,9-10H2,1-2H3;2-4,6-7,12H,5,8-10H2,1H3;9-10H,5-8H2,1-4H3;1-3,5-6,11,14H,4,7-9H2;8-9H,4-7,13H2,1-3H3;7-8,13H,3-6,12H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;8H,1-5H2;8H,1-4H2,(H,7,9).
What are the key properties of 5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one?
5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one has a molecular weight of 3880.85 g/mol, XLogP of 7.37, 34 rotatable bonds, 17 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-amino-3-hydroxybutanoyl)pyrrolidine-2-carbonyl]-2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-(3-hydroxy-2-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one;2-(2-amino-3-methylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;5-azaspiro[3.4]octan-3-one;benzyl N-[1-[2-[2-(2-amino-3-hydroxybutanoyl)-3-oxo-2,5-diazaspiro[3.4]octane-5-carbonyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]carbamate;benzyl 2-[2-(1-hydroxyethyl)-4-methoxy-4-oxobutanoyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;benzyl 3-oxo-5-azaspiro[3.4]octane-5-carboxylate;2,5-diazaspiro[3.4]octan-3-one;2-(2,3-dimethylbutanoyl)-5-methyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-2,5-diazaspiro[3.4]octan-3-one;2,5-dimethyl-1-phenyl-2,5-diazaspiro[3.4]octan-3-one;5-methyl-5-azaspiro[3.4]octan-3-one;5-methyl-1-phenyl-5-azaspiro[3.4]octan-3-one;1-phenyl-5-azaspiro[3.4]octan-3-one is sourced from PubChem (CID 158122628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).