4-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-4-oxo-butyric acid

C₁₀H₁₈N₂O₄CAS 717904-43-3230.26 g/mol

Open in Covalent MOL file

Alcohol Amide Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₀H₁₈N₂O₄
Molar mass: 230.26 g/mol
Exact mass: 230.1267 Da
logP: -1.01Crippen estimate
Polar surface area: 81.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 5

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

717904-43-3

SMILES

C1CN(CCN1CCO)C(=O)CCC(=O)O

InChIKey

NZOSAPDTJDBHFA-UHFFFAOYSA-N

InChI

InChI=1S/C10H18N2O4/c13-8-7-11-3-5-12(6-4-11)9(14)1-2-10(15)16/h13H,1-8H2,(H,15,16)

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Work with 4-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-4-oxo-butyric 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

[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-acetic acid124335-65-561 % similar Hydroxyethylethylenediaminetriacetic acid150-39-056 % similar Bicine150-25-455 % similar N1,N1,N6,N6-Tetrakis(2-hydroxyethyl)hexanediamide6334-25-455 % similar (2-Hydroxyethyl)iminodiacetic acid93-62-955 % similar 1-(2-Hydroxyethyl)-2-pyrrolidinone3445-11-253 % similar 4-(2-Hydroxyethyl)-piperazine-1-carboxylic acid amide116882-73-650 % similar Polybutylene succinate25777-14-450 % similar

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

Same formula

1-Boc-2-piperazinecarboxylic acid1214196-85-6 4-[(tert-Butoxy)carbonyl]piperazine-2-carboxylic acid128019-59-0 1,1′-Dimethyl 2,2′-(1,2-diazenediyl)bis[2-methylpropanoate]2589-57-3 (R)-4-Boc-piperazine-3-carboxylic acid278788-60-6 (S)-4-N-Boc-piperazine-2-carboxylic acid848482-93-9 Di-tert-butyl azodicarboxylate870-50-8

Elsewhere

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