5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid

C₁₁H₁₅NO₃CAS 301353-36-6209.24 g/mol

Open in Covalent MOL file

Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₁H₁₅NO₃
Molar mass: 209.24 g/mol
Exact mass: 209.1052 Da
logP: 1.96Crippen estimate
Polar surface area: 53.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

301353-36-6

SMILES

C1CCN(CC1)CC2=CC=C(O2)C(=O)O

InChIKey

FOMTWLBLESUJEU-UHFFFAOYSA-N

InChI

InChI=1S/C11H15NO3/c13-11(14)10-5-4-9(15-10)8-12-6-2-1-3-7-12/h4-5H,1-3,6-8H2,(H,13,14)

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

Names and synonyms

1 names

5-Piperidin-1-ylmethyl-furan-2-carboxylic acid

Work with 5-(Piperidin-1-ylmethyl)furan-2-carboxylic 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

5-(Pyrrolidin-1-ylmethyl)furan-2-carboxylic acid400750-49-497 % similar 5-(Hydroxymethyl)-2-furancarboxylic acid6338-41-657 % similar 2,5-Furandicarboxylic acid3238-40-252 % similar 5-Methyl-2-furoic acid1917-15-344 % similar 5-Bromo-2-furancarboxylic acid585-70-644 % similar 5-Chlorofuran-2-carboxylic acid618-30-444 % similar 5-Formyl-2-furancarboxylic acid13529-17-441 % similar 4-Piperidin-1-yl-benzoic acid22090-24-040 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Propoxur114-26-1 Ethyl-4-acetyl-3,5-dimethylpyrrole-2-carboxylate2386-26-7 Benzyl N-(3-hydroxypropyl)carbamate34637-22-4 (2S,3R)-2-Amino-3-(benzyloxy)butanoic acid4378-10-3 (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-2 N-Benzyloxycarbonyl-D-alaninol61425-27-2 Benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate66674-16-6 (R)-4-Amino-3-(4-methoxyphenyl)butanoic acid740774-41-8

Elsewhere

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