chempirical

1-(Ethoxycarbonyl)-4-piperidinecarboxylic acid

C9H15NO4CAS 118133-15-6201.22 g/mol

Open in Covalent MOL file
OONOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C9H15NO4
Molar mass
201.22 g/mol
Exact mass
201.1001 Da
logP
0.94Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
118133-15-6
SMILES
CCOC(=O)N1CCC(CC1)C(=O)O
InChIKey
BVEBMPFJSMEGJX-UHFFFAOYSA-N
InChI
InChI=1S/C9H15NO4/c1-2-14-9(13)10-5-3-7(4-6-10)8(11)12/h7H,2-6H2,1H3,(H,11,12)

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Work with 1-(Ethoxycarbonyl)-4-piperidinecarboxylic 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

Ethyl 4-hydroxy-1-piperidinecarboxylate65214-82-664 % similar Ethyl 4-amino-1-piperidinecarboxylate58859-46-459 % similar 1-Carbobenzoxy-4-piperidinecarboxylic Acid10314-98-458 % similar Ethyl 4-(methylamino)-1-piperidinecarboxylate73733-69-456 % similar 1-Acetyl-4-piperidinecarboxylic acid25503-90-654 % similar Ethyl 1-piperazinecarboxylate120-43-451 % similar 1-(Ethoxycarbonyl)-4-piperidone29976-53-251 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate72925-16-751 % similar

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

Same formula

1-Boc-azetidine-3-carboxylic acid142253-55-2 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-5

Elsewhere

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