chempirical

1,1-Cyclopentanediacetic acid

C9H14O4CAS 16713-66-9186.21 g/mol

Open in Covalent MOL file
OHOOHO
Carboxylic acid

Properties

Molecular formula
C9H14O4
Molar mass
186.21 g/mol
Exact mass
186.0892 Da
Melting point
176–177 °C
logP
1.50Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
4

Identifiers

CAS number
16713-66-9
SMILES
O=C(O)CC1(CC(=O)O)CCCC1
InChIKey
FWPVKDFOUXHOKQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H14O4/c10-7(11)5-9(6-8(12)13)3-1-2-4-9/h1-6H2,(H,10,11)(H,12,13)

Weigh it out

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

Names and synonyms

6 names
  • 3,3′-Tetramethylene glutaric acid
  • Tetramethyleneglutaric acid
  • AY 20037
  • NSC 39838
  • 1,1-Bis(carboxymethyl)cyclopentane
  • 2-[1-(Carboxymethyl)cyclopentyl]acetic acid

Work with 1,1-Cyclopentanediacetic 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

1,1-Cyclohexanediacetic acid4355-11-795 % similar 1,1-Cyclohexanediacetic acid monoamide99189-60-370 % similar Gabapentin60142-96-369 % similar 1-(Mercaptomethyl)cyclopropaneacetic acid162515-68-658 % similar 1-Adamantaneacetic acid4942-47-652 % similar 1-Cyanocyclohexaneacetic acid133481-09-150 % similar 1,3-Adamantanediacetic acid17768-28-448 % similar 3,3-Dimethylbutanoic acid1070-83-348 % similar

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

Same formula

1,3-Diethyl 2-ethylidenepropanedioate1462-12-0 trans-4-(Methoxycarbonyl)cyclohexanecarboxylic acid15177-67-0 Diethyl 1,1-cyclopropanedicarboxylate1559-02-0 1,3-Dimethyl 1,3-cyclopentanedicarboxylate2435-36-1 Ethyl 2-(ethoxymethylene)acetoacetate3788-94-1

Elsewhere

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