1-(Ethoxycarbonyl)-4-piperidinecarboxylic acid

C₉H₁₅NO₄CAS 118133-15-6201.22 g/mol

Open in Covalent MOL file

Carbamate Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

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)

Weigh it out

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

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-hydroxypiperidine-1-carboxylate65214-82-664 % similar 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid174316-71-362 % similar N-Boc-piperidine-4-carboxylic acid84358-13-462 % 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-Acetylpiperidine-4-carboxylic acid25503-90-654 % similar Fmoc-isonipecotic acid148928-15-853 % 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-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-7 Boc-D-azetidine-2-carboxylic acid228857-58-7 1-Boc-L-azetidine-2-carboxylic acid51077-14-6 1-Amino-4-oxocyclohexanecarboxylic acid ethylene ketal54621-18-0 2-tert-Butoxycarbonylamino-acrylic acid methyl ester55477-80-0 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-5

Elsewhere

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