chempirical

3-Isobutylglutaric acid

C9H16O4CAS 75143-89-4188.22 g/mol

Open in Covalent MOL file
OOHOOH
Carboxylic acid

Properties

Molecular formula
C9H16O4
Molar mass
188.22 g/mol
Exact mass
188.1049 Da
Melting point
47 °C
logP
1.60Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
6

Identifiers

CAS number
75143-89-4
SMILES
CC(C)CC(CC(=O)O)CC(=O)O
InChIKey
UATSLDZQNXAKMA-UHFFFAOYSA-N
InChI
InChI=1S/C9H16O4/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H,10,11)(H,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Pentanedioic acid, 3-(2-methylpropyl)-
  • 3-(2-Methylpropyl)pentanedioic acid

Work with 3-Isobutylglutaric acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-(Carbamoylmethyl)-5-methylhexanoic acid181289-15-676 % similar (R)-3-(Carbamoylmethyl)-5-methylhexanoic acid181289-33-876 % similar 3-(Aminomethyl)-5-methylhexanoic acid128013-69-475 % similar 3-(Aminomethyl)-5-methylhexanoic acid130912-52-675 % similar Pregabalin148553-50-875 % similar 3-Methylbutanoic acid503-74-267 % similar Cyclopentaneacetic acid1123-00-852 % similar Dihydro-4-(2-methylpropyl)-2H-pyran-2,6(3H)-dione185815-59-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Azelaic acid123-99-9 Diisopropyl malonate13195-64-7 1,3-Diethyl 2-ethylpropanedioate133-13-1 Dipropylmalonic acid1636-27-7 Dimethyl pimelate1732-08-7 Dimethyl diethylmalonate27132-23-6 Ethyl 3,3-diethoxy-2-propenoate32002-24-7 1-(1,1-Dimethylethyl) 3-ethyl propanedioate32864-38-3

Elsewhere

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