7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one

C76H121N7O20S — CID 167552850

IUPAC7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one
SMILESCC(=O)C(CO)N1CC2(CCC(C)CC2)C1=O.CC(=O)C(CO)N1CC2(CCC(O)CC2)C1=O.CC(=O)C(CS)N1CC2(CCC(O)CC2)C1=O.CC(=O)C([C@@H](C)O)N1CC2(CCC(C)CC2)C1=O.CC(=O)CCC(C(N)=O)N1CC2(CCC(O)CC2)C1=O.CC(=O)CN1CC2(CCC(O)CC2)C1=O
InChIInChI=1S/C14H22N2O4.C14H23NO3.C13H21NO3.C12H19NO4.C12H19NO3S.C11H17NO3/c1-9(17)2-3-11(12(15)19)16-8-14(13(16)20)6-4-10(18)5-7-14;1-9-4-6-14(7-5-9)8-15(13(14)18)12(10(2)16)11(3)17;1-9-3-5-13(6-4-9)8-14(12(13)17)11(7-15)10(2)16;1-8(15)10(6-14)13-7-12(11(13)17)4-2-9(16)3-5-12;1-8(14)10(6-17)13-7-12(11(13)16)4-2-9(15)3-5-12;1-8(13)6-12-7-11(10(12)15)4-2-9(14)3-5-11/h10-11,18H,2-8H2,1H3,(H2,15,19);9-10,12,16H,4-8H2,1-3H3;9,11,15H,3-8H2,1-2H3;9-10,14,16H,2-7H2,1H3;9-10,15,17H,2-7H2,1H3;9,14H,2-7H2,1H3/t;9?,10-,12?,14?;;;;/m.1..../s1
InChIKeyCQDQXEQDCCXWCX-DGALQWKKSA-N
MW1484.90 g/mol
LogP2.99
Rot. Bonds19

About 7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one

7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one (PubChem CID 167552850) has the molecular formula C76H121N7O20S and a molecular weight of 1484.90 g/mol. Its IUPAC name is 7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one
PubChem CID167552850
Molecular FormulaC76H121N7O20S
Molecular Weight1484.90 g/mol
Exact Mass1483.84
IUPAC Name7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one
SMILESCC(=O)C(CO)N1CC2(CCC(C)CC2)C1=O.CC(=O)C(CO)N1CC2(CCC(O)CC2)C1=O.CC(=O)C(CS)N1CC2(CCC(O)CC2)C1=O.CC(=O)C([C@@H](C)O)N1CC2(CCC(C)CC2)C1=O.CC(=O)CCC(C(N)=O)N1CC2(CCC(O)CC2)C1=O.CC(=O)CN1CC2(CCC(O)CC2)C1=O
InChIInChI=1S/C14H22N2O4.C14H23NO3.C13H21NO3.C12H19NO4.C12H19NO3S.C11H17NO3/c1-9(17)2-3-11(12(15)19)16-8-14(13(16)20)6-4-10(18)5-7-14;1-9-4-6-14(7-5-9)8-15(13(14)18)12(10(2)16)11(3)17;1-9-3-5-13(6-4-9)8-14(12(13)17)11(7-15)10(2)16;1-8(15)10(6-14)13-7-12(11(13)17)4-2-9(16)3-5-12;1-8(14)10(6-17)13-7-12(11(13)16)4-2-9(15)3-5-12;1-8(13)6-12-7-11(10(12)15)4-2-9(14)3-5-11/h10-11,18H,2-8H2,1H3,(H2,15,19);9-10,12,16H,4-8H2,1-3H3;9,11,15H,3-8H2,1-2H3;9-10,14,16H,2-7H2,1H3;9-10,15,17H,2-7H2,1H3;9,14H,2-7H2,1H3/t;9?,10-,12?,14?;;;;/m.1..../s1
InChIKeyCQDQXEQDCCXWCX-DGALQWKKSA-N
XLogP2.99
TPSA408.98 Ų
H-Bond Donors9
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001484.90
LogP ≤ 52.99
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide
CID 134244857
(2S,3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanoic acid
CID 134231155
2-(3-oxo-2-azaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 134244860
2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 134244276
(2S,3R)-2-[10-acetyl-8-[(2R,3S)-2-hydroxy-4-oxopentan-3-yl]-3,9-dioxo-2,8,10-triazadispiro[3.1.36.24]undecan-2-yl]-3-hydroxybutanamide
CID 161249867
2-(3-hydroxy-7-methyl-2-azaspiro[3.5]nonan-2-yl)pentanediamide
CID 134244859
(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide
CID 139382772
(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide
CID 171080838
deuterium monohydride;2-[7-(2-methylpropylamino)-3-oxo-2-azaspiro[3.5]nonan-2-yl]acetamide
CID 163794028
(2R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl)-3-sulfanylpropanamide
CID 171080666
(2S)-2-[1-[(2R)-2-amino-3-sulfanylpropanoyl]-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]pentanediamide
CID 134243495
(2S)-2-[5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-7-cyano-7-methyl-3-oxo-6-phenyl-2,5-diazaspiro[3.4]octan-2-yl]pentanediamide
CID 171080682

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one?
The IUPAC name of 7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one (CID 167552850) is 7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one.
What is the SMILES notation for 7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one?
The canonical SMILES for 7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one is CC(=O)C(CO)N1CC2(CCC(C)CC2)C1=O.CC(=O)C(CO)N1CC2(CCC(O)CC2)C1=O.CC(=O)C(CS)N1CC2(CCC(O)CC2)C1=O.CC(=O)C([C@@H](C)O)N1CC2(CCC(C)CC2)C1=O.CC(=O)CCC(C(N)=O)N1CC2(CCC(O)CC2)C1=O.CC(=O)CN1CC2(CCC(O)CC2)C1=O.
What is the InChIKey of 7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one?
The InChIKey is CQDQXEQDCCXWCX-DGALQWKKSA-N. The full InChI is InChI=1S/C14H22N2O4.C14H23NO3.C13H21NO3.C12H19NO4.C12H19NO3S.C11H17NO3/c1-9(17)2-3-11(12(15)19)16-8-14(13(16)20)6-4-10(18)5-7-14;1-9-4-6-14(7-5-9)8-15(13(14)18)12(10(2)16)11(3)17;1-9-3-5-13(6-4-9)8-14(12(13)17)11(7-15)10(2)16;1-8(15)10(6-14)13-7-12(11(13)17)4-2-9(16)3-5-12;1-8(14)10(6-17)13-7-12(11(13)16)4-2-9(15)3-5-12;1-8(13)6-12-7-11(10(12)15)4-2-9(14)3-5-11/h10-11,18H,2-8H2,1H3,(H2,15,19);9-10,12,16H,4-8H2,1-3H3;9,11,15H,3-8H2,1-2H3;9-10,14,16H,2-7H2,1H3;9-10,15,17H,2-7H2,1H3;9,14H,2-7H2,1H3/t;9?,10-,12?,14?;;;;/m.1..../s1.
What are the key properties of 7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one?
7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one has a molecular weight of 1484.90 g/mol, XLogP of 2.99, 19 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(1-hydroxy-3-oxobutan-2-yl)-2-azaspiro[3.5]nonan-3-one;2-(7-hydroxy-3-oxo-2-azaspiro[3.5]nonan-2-yl)-5-oxohexanamide;2-(1-hydroxy-3-oxobutan-2-yl)-7-methyl-2-azaspiro[3.5]nonan-3-one;2-[(2R)-2-hydroxy-4-oxopentan-3-yl]-7-methyl-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(2-oxopropyl)-2-azaspiro[3.5]nonan-3-one;7-hydroxy-2-(3-oxo-1-sulfanylbutan-2-yl)-2-azaspiro[3.5]nonan-3-one is sourced from PubChem (CID 167552850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).