chempirical

N-2-Pyridinyl-beta-alanine ethyl ester

C10H14N2O2CAS 103041-38-9194.23 g/mol

Open in Covalent MOL file
OOHNN
EsterSecondary amine

Properties

Molecular formula
C10H14N2O2
Molar mass
194.23 g/mol
Exact mass
194.1055 Da
logP
1.45Crippen estimate
Polar surface area
51.2 Ų
H-bond donors / acceptors
1 / 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
103041-38-9
SMILES
CCOC(=O)CCNc1ccccn1
InChIKey
UITNIDFEANEWPC-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2O2/c1-2-14-10(13)6-8-12-9-5-3-4-7-11-9/h3-5,7H,2,6,8H2,1H3,(H,11,12)

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Names and synonyms

5 names
  • N-2-Pyridinyl-β-alanine ethyl ester
  • β-Alanine, N-2-pyridinyl-, ethyl ester
  • β-Alanine, N-2-pyridyl-, ethyl ester
  • Ethyl 3-(pyridin-2-ylamino)propanoate
  • Ethyl 3-[(pyridin-2-yl)amino]propionate

Work with N-2-Pyridinyl-beta-alanine ethyl ester

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

Ethyl 2-pyridylacetate2739-98-256 % similar Gsk-J41373423-53-055 % similar N-(Phenylmethyl)-β-alanine ethyl ester23583-21-353 % similar Gsk-J4 hydrochloride1797983-09-552 % similar Ethyl 3-oxo-3-(pyridin-2-yl)propanoate26510-52-152 % similar Ethyl 3-phenylpropanoate2021-28-550 % similar Ethyl 3-phenoxypropionate22409-91-250 % similar N-Phenylglycine ethyl ester2216-92-448 % similar

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

Same formula

1-(tert-Butoxycarbonyl)-3-(cyanomethylene)azetidine1153949-11-1 N,N-Diethyl-4-nitrobenzenamine2216-15-1 2-(Boc-amino)pyridine38427-94-0 4-(1,1-Dimethylethyl)-2-nitrobenzenamine6310-19-6 1,4-Bis(acryloyl)piperazine6342-17-2

Elsewhere

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