chempirical

2-(1-Methylethyl)propanedioic acid

C6H10O4CAS 601-79-6146.14 g/mol

Open in Covalent MOL file
OHOOOH
Carboxylic acid

Properties

Molecular formula
C6H10O4
Molar mass
146.14 g/mol
Exact mass
146.0579 Da
Melting point
130 °C
logP
0.43Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
601-79-6
SMILES
CC(C)C(C(=O)O)C(=O)O
InChIKey
DQEUFPARIOFOAI-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O4/c1-3(2)4(5(7)8)6(9)10/h3-4H,1-2H3,(H,7,8)(H,9,10)

Weigh it out

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

Names and synonyms

10 names
  • Propanedioic acid, 2-(1-methylethyl)-
  • NSC 120711
  • 2-Isopropylmalonic acid
  • 2-Propan-2-ylpropanedioic acid
  • 2-(Propan-2-yl)propanedioic acid
  • Malonic acid, isopropyl-
  • Propanedioic acid, (1-methylethyl)-
  • Isopropylmalonic acid
  • α-Carboxyisovaleric acid
  • NSC 1168

Work with 2-(1-Methylethyl)propanedioic 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

(S)-2-Hydroxy-3-methylbutanoic acid17407-55-557 % similar (±)-2-Hydroxyisovaleric acid4026-18-057 % similar (2S)-2-Chloro-3-methylbutanoic acid26782-74-154 % similar (2S)-2-Bromo-3-methylbutanoic acid26782-75-254 % similar D-Valine640-68-654 % similar Valine72-18-454 % similar Methylmalonic acid516-05-252 % similar Isobutyric acid79-31-252 % similar

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

Same formula

Dimethyl succinate106-65-0 Monoethyl succinate1070-34-4 Glycol diacetate111-55-7 Adipic acid124-04-9 Glucal13265-84-4 Monomethyl glutarate1501-27-5 2-Methylglutaric acid18069-17-5 D-Galactal21193-75-9

Elsewhere

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