chempirical

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

C10H13NO3CAS 400750-49-4195.22 g/mol

Open in Covalent MOL file
NOOHO
Carboxylic acidTertiary amine

Properties

Molecular formula
C10H13NO3
Molar mass
195.22 g/mol
Exact mass
195.0895 Da
logP
1.57Crippen estimate
Polar surface area
53.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

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
400750-49-4
SMILES
C1CCN(C1)CC2=CC=C(O2)C(=O)O
InChIKey
XMFACEUEFDPCDJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO3/c12-10(13)9-4-3-8(14-9)7-11-5-1-2-6-11/h3-4H,1-2,5-7H2,(H,12,13)

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Names and synonyms

1 names
  • 5-Pyrrolidin-1-ylmethyl-furan-2-carboxylic acid

Work with 5-(Pyrrolidin-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-(Piperidin-1-ylmethyl)furan-2-carboxylic acid301353-36-697 % similar 5-(Hydroxymethyl)-2-furancarboxylic acid6338-41-658 % similar 2,5-Furandicarboxylic acid3238-40-253 % similar 5-Methyl-2-furoic acid1917-15-345 % similar 5-Bromo-2-furancarboxylic acid585-70-645 % similar 5-Chlorofuran-2-carboxylic acid618-30-445 % similar 5-Formyl-2-furancarboxylic acid13529-17-443 % similar 5-Phenylfuran-2-carboxylic acid52938-97-341 % similar

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

Same formula

O-(Phenylmethyl)-D-serine10433-52-0 Methyl L-tyrosinate1080-06-4 (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-56-7 (R)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-57-8 Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate2199-59-9 4-tert-Butyl-2-nitrophenol3279-07-0 3-Methoxy-L-phenylalanine33879-32-2 O-Methyl-D-tyrosine39878-65-4

Elsewhere

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