3-(2-Methyl-1H-imidazol-1-yl)propanoic acid

C₇H₁₀N₂O₂CAS 24647-62-9154.17 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₇H₁₀N₂O₂
Molar mass: 154.17 g/mol
Exact mass: 154.0742 Da
logP: 0.67Crippen estimate
Polar surface area: 55.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 3

Hazards

Warning

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

Aggregated from 5 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

24647-62-9

SMILES

CC1=NC=CN1CCC(=O)O

InChIKey

UVICIJVLATWAES-UHFFFAOYSA-N

InChI

InChI=1S/C7H10N2O2/c1-6-8-3-5-9(6)4-2-7(10)11/h3,5H,2,4H2,1H3,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

3-(2-Methyl-imidazol-1-yl)-propionic acid

Work with 3-(2-Methyl-1H-imidazol-1-yl)propanoic 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

2-Methyl-1H-imidazole-1-ethanol1615-15-256 % similar 1-Propyl-2-methylimidazole33214-18-553 % similar 1-Butyl-2-methyl-1H-imidazole13435-22-850 % similar 2-Methyl-1H-imidazole-1-propanamine2258-21-149 % similar 1-Cyanoethyl-2-methylimidazole23996-55-648 % similar N-Ethyl-2-methylimidazole21202-52-847 % similar 3-Benzoimidazol-1-yl-propionic acid14840-18-745 % similar 3-Imidazol-1-yl-propionic acid18999-45-645 % similar

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

Same formula

Ethyl 2-amino-1H-pyrrole-3-carboxylate108290-86-4 N,N'-Methylenebisacrylamide110-26-9 1,3,5-Trimethyl-1H-pyrazole-4-carboxylic acid1125-29-7 4,6-Dimethoxy-2-methylpyrimidine13566-48-8 4-(Cyanoacetyl)morpholine15029-32-0 3,5-Dimethyl-1H-pyrazole-1-acetic acid16034-49-4 Ethyl 2-(1H-imidazol-1-yl)acetate17450-34-9 Ethyl 1-methylimidazole-2-carboxylate30148-21-1

Elsewhere

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