2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid

C20H36N4O8 — CID 175812572

IUPAC2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid
SMILESCC(C)(/N=N/C(C)(C)C(=O)O)C(=O)O.CCC(C)(/N=N/C(C)(C(=O)O)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H22N2O4.C8H14N2O4/c1-7-11(5,8(15)16)13-14-12(6,9(17)18)10(2,3)4;1-7(2,5(11)12)9-10-8(3,4)6(13)14/h7H2,1-6H3,(H,15,16)(H,17,18);1-4H3,(H,11,12)(H,13,14)/b14-13+;10-9+
InChIKeyPVUKETJLWHMOOA-YJOMUKFESA-N
MW460.53 g/mol
LogP3.75
Rot. Bonds9

About 2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid

2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid (PubChem CID 175812572) has the molecular formula C20H36N4O8 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid
PubChem CID175812572
Molecular FormulaC20H36N4O8
Molecular Weight460.53 g/mol
Exact Mass460.25
IUPAC Name2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid
SMILESCC(C)(/N=N/C(C)(C)C(=O)O)C(=O)O.CCC(C)(/N=N/C(C)(C(=O)O)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H22N2O4.C8H14N2O4/c1-7-11(5,8(15)16)13-14-12(6,9(17)18)10(2,3)4;1-7(2,5(11)12)9-10-8(3,4)6(13)14/h7H2,1-6H3,(H,15,16)(H,17,18);1-4H3,(H,11,12)(H,13,14)/b14-13+;10-9+
InChIKeyPVUKETJLWHMOOA-YJOMUKFESA-N
XLogP3.75
TPSA198.64 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

butanenitrile;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid
CID 175005242
2-isothiocyanato-2-methylbutanoic acid
CID 87246203
2-[[1-(1-ethoxyethoxy)-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanoic acid
CID 59010826
azane;2,2-diethylbutanoic acid
CID 173369262
2-ethyl-2-hydroxy-3,3-dimethylbutanoic acid
CID 83694809
2,2-diethyl-4,4-dimethyl-3-oxopentanoic acid
CID 58961056
2,3-dibromo-2-ethyl-3-methylbutanoic acid
CID 91152482
3-chloro-3-methylpentanoic acid
CID 13378180
2,2-dimethylbutanoic acid;methane
CID 159782886
2-methyl-2-[(4-methylphenyl)methylideneamino]butanoic acid
CID 175535722
(2R)-2-methyl-2-[(2,2,2-trifluoro-1-phenylethylidene)amino]butanoic acid
CID 87795705
lithium;2-amino-2,3,3-trimethylpentanoic acid;hydride
CID 174387889

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid (CID 175812572) is 2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid is CC(C)(/N=N/C(C)(C)C(=O)O)C(=O)O.CCC(C)(/N=N/C(C)(C(=O)O)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid?
The InChIKey is PVUKETJLWHMOOA-YJOMUKFESA-N. The full InChI is InChI=1S/C12H22N2O4.C8H14N2O4/c1-7-11(5,8(15)16)13-14-12(6,9(17)18)10(2,3)4;1-7(2,5(11)12)9-10-8(3,4)6(13)14/h7H2,1-6H3,(H,15,16)(H,17,18);1-4H3,(H,11,12)(H,13,14)/b14-13+;10-9+.
What are the key properties of 2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid?
2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid has a molecular weight of 460.53 g/mol, XLogP of 3.75, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxybutan-2-yldiazenyl)-2,3,3-trimethylbutanoic acid;2-(2-carboxypropan-2-yldiazenyl)-2-methylpropanoic acid is sourced from PubChem (CID 175812572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).