chempirical

1-Methyl-3-pyrrolidinyl α-cyclopentyl-α-hydroxybenzeneacetate

C18H25NO3CAS 13118-11-1303.40 g/mol

Open in Covalent MOL file
NOOHO
AlcoholEsterTertiary amine

Properties

Molecular formula
C18H25NO3
Molar mass
303.40 g/mol
Exact mass
303.1834 Da
logP
2.31Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
4

Identifiers

CAS number
13118-11-1
SMILES
CN1CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1
InChIKey
OVGMKPGXRHJNKJ-UHFFFAOYSA-N
InChI
InChI=1S/C18H25NO3/c1-19-12-11-16(13-19)22-17(20)18(21,15-9-5-6-10-15)14-7-3-2-4-8-14/h2-4,7-8,15-16,21H,5-6,9-13H2,1H3

Weigh it out

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

Names and synonyms

4 names
  • Benzeneacetic acid, α-cyclopentyl-α-hydroxy-, 1-methyl-3-pyrrolidinyl ester
  • Mandelic acid, α-cyclopentyl-, 1-methyl-3-pyrrolidinyl ester
  • N-Methyl-3-pyrrolidinyl cyclopentylmandelate
  • 1-Methylpyrrolidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate

Work with 1-Methyl-3-pyrrolidinyl α-cyclopentyl-α-hydroxybenzeneacetate

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

Methyl α-cyclopentyl-α-hydroxybenzeneacetate19833-96-661 % similar Methyl α-cyclohexyl-α-hydroxybenzeneacetate10399-13-060 % similar Erythro-glycopyrronium bromide51186-83-557 % similar Glycopyrrolate596-51-057 % similar α-Cyclopentylmandelic acid427-49-652 % similar (±)-Cyclohexylphenylglycolic acid4335-77-751 % similar Oxybutynin5633-20-550 % similar Oxybutynin hydrochloride1508-65-248 % similar

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

Same formula

2-Methylpropyl 2-(2-methylpropoxy)-1(2H)-quinolinecarboxylate38428-14-7

Elsewhere

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