2-Aminoindan-2-carboxylic acid

C₁₀H₁₁NO₂CAS 27473-62-7177.20 g/mol

Open in Covalent MOL file

Carboxylic acid Primary amine

Properties

Molecular formula: C₁₀H₁₁NO₂
Molar mass: 177.20 g/mol
Exact mass: 177.0790 Da
logP: 0.57Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

27473-62-7

SMILES

C1C2=CC=CC=C2CC1(C(=O)O)N

InChIKey

UHQFXIWMAQOCAN-UHFFFAOYSA-N

InChI

InChI=1S/C10H11NO2/c11-10(9(12)13)5-7-3-1-2-4-8(7)6-10/h1-4H,5-6,11H2,(H,12,13)

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Names and synonyms

1 names

2-Aminoindane-2-carboxylic acid

Work with 2-Aminoindan-2-carboxylic 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

D,L-2-Aminotetralin-2-carboxylic acid6331-63-178 % similar 1-Aminocyclopropane-1-carboxylic acid22059-21-852 % similar 3-Amino-1-benzylpyrrolidine-3-carboxylic acid145602-87-549 % similar DL-α-Methylphenylalanine1132-26-949 % similar Alpha-Methyl-D-phenylalanine17350-84-449 % similar α-Methyl-L-phenylalanine23239-35-249 % similar 2,2-Diphenylglycine3060-50-248 % similar 4-Aminotetrahydro-2H-pyran-4-carboxylic acid39124-20-448 % similar

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

Same formula

Acetoacetanilide102-01-2 (R)-4-Benzyl-2-oxazolidinone102029-44-7 (3R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid103733-65-9 3,5-Dimethoxyphenylacetonitrile13388-75-5 1,3-Dihydro-4-(2-hydroxyethyl)-2H-indol-2-one139122-19-3 5,6-Dimethoxyindole14430-23-0 (4S,5R)-(-)-4-Methyl-5-phenyl-2-oxazolidinone16251-45-9 2,5-Dimethoxyphenylacetonitrile18086-24-3

Elsewhere

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