3,6-Bis(2-hydroxyethyl)-2-pyrazinepropanoic acid

C₁₁H₁₆N₂O₄CAS 96681-85-5240.26 g/mol

Open in Covalent MOL file

Alcohol Carboxylic acid

Properties

Molecular formula: C₁₁H₁₆N₂O₄
Molar mass: 240.26 g/mol
Exact mass: 240.1110 Da
logP: -0.44Crippen estimate
Polar surface area: 103.5 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 7

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

96681-85-5

SMILES

O=C(O)CCc1nc(CCO)cnc1CCO

InChIKey

LOAQLPWVJYSQKH-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O4/c14-5-3-8-7-12-9(4-6-15)10(13-8)1-2-11(16)17/h7,14-15H,1-6H2,(H,16,17)

Weigh it out

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

Names and synonyms

3 names

2-Pyrazinepropanoic acid, 3,6-bis(2-hydroxyethyl)-
Pyrazinepropanoic acid, 3,6-bis(2-hydroxyethyl)-
3-(2-Carboxyethyl)-2,5-bis(2-hydroxyethyl)pyrazine

Work with 3,6-Bis(2-hydroxyethyl)-2-pyrazinepropanoic 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-Ethyl-2,5-pyrazinediethanol86917-74-055 % similar 2,5-Pyrazinediethanol4744-51-842 % similar 3-(Pyridin-2-yl)propanoic acid15197-75-841 % similar 1,4-Benzenedipropanoic acid4251-21-239 % similar 3-Hydroxypropionic acid503-66-239 % similar 3-(2-Thiazolyl)propionic acid144163-65-538 % similar 3-Pyridinepropanoic acid3724-19-437 % similar Polybutylene succinate25777-14-437 % similar

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

Same formula

4-(Boc-amino)-1-methyl-1H-pyrrole-2-carboxylic Acid77716-11-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook