1-Formylisonipecotic acid

C₇H₁₁NO₃CAS 84163-42-8157.17 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₇H₁₁NO₃
Molar mass: 157.17 g/mol
Exact mass: 157.0739 Da
logP: -0.06Crippen estimate
Polar surface area: 57.6 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

84163-42-8

SMILES

O=CN1CCC(C(=O)O)CC1

InChIKey

IZNTWTMLHCGAJU-UHFFFAOYSA-N

InChI

InChI=1S/C7H11NO3/c9-5-8-3-1-6(2-4-8)7(10)11/h5-6H,1-4H2,(H,10,11)

Weigh it out

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

Names and synonyms

4 names

4-Piperidinecarboxylic acid, 1-formyl-
Isonipecotic acid, 1-formyl-
1-Formyl-4-piperidinecarboxylic acid
N-Formylisonipecotic acid

Work with 1-Formylisonipecotic 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

1-Methyl-piperidine-4-carboxylic acid68947-43-355 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-754 % similar Cyclopropanecarboxylic acid1759-53-154 % similar 1,4-Cyclohexanedicarboxylic acid619-81-854 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-954 % similar 1-Acetylpiperidine-4-carboxylic acid25503-90-650 % similar Cyclopentanecarboxylic acid3400-45-150 % similar Cyclobutanecarboxylic acid3721-95-750 % similar

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

Same formula

Ac-dl-pro-oh1074-79-9 Ethyl (3R)-4-cyano-3-hydroxybutanoate141942-85-0 1-N-Ethoxycarbonyl-3-pyrrolidone14891-10-2 Butyl 2-isocyanatoacetate17046-22-9 Ethyl (3S)-4-cyano-3-hydroxybutanoate312745-91-8 2-Ethoxyethyl 2-cyanoacetate32804-77-6 Ethyl 2-oxopyrrolidine-3-carboxylate36821-26-8 Methyl 2-oxo-1-pyrrolidineacetate59776-88-4

Elsewhere

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