chempirical

D,L-2-Aminotetralin-2-carboxylic acid

C11H13NO2CAS 6331-63-1191.23 g/mol

Open in Covalent MOL file
OOHNH2
Carboxylic acidPrimary amine

Properties

Molecular formula
C11H13NO2
Molar mass
191.23 g/mol
Exact mass
191.0946 Da
logP
0.96Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
6331-63-1
SMILES
C1CC(CC2=CC=CC=C21)(C(=O)O)N
InChIKey
CDULPPOISZOUTK-UHFFFAOYSA-N
InChI
InChI=1S/C11H13NO2/c12-11(10(13)14)6-5-8-3-1-2-4-9(8)7-11/h1-4H,5-7,12H2,(H,13,14)

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Names and synonyms

1 names
  • 2-Aminotetralin-2-carboxylic acid

Work with D,L-2-Aminotetralin-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

2-Aminoindan-2-carboxylic acid27473-62-778 % similar 1-Aminocyclopropane-1-carboxylic acid22059-21-848 % similar 3-Amino-1-benzylpyrrolidine-3-carboxylic acid145602-87-547 % similar 4-Aminotetrahydro-2H-pyran-4-carboxylic acid39124-20-446 % similar 1-Amino-cyclobutanecarboxylic acid22264-16-046 % similar 1-Aminocyclobutanecarboxylic acid22264-50-246 % similar Cycloleucine52-52-846 % similar 1-Amino-1-cyclopropanecarboxylic acid hydrochloride68781-13-546 % similar

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

Same formula

(1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-5 (3R)-3-Phenyl-L-proline118758-48-8 4-Morpholinobenzaldehyde1204-86-0 4-Formyl-N-(1-methylethyl)benzamide13255-50-0 4-(Dimethylamino)cinnamic acid1552-96-1 4-(1-Pyrrolidinyl)benzoic acid22090-27-3 N-(4-Methylphenyl)-3-oxobutanamide2415-85-2 (R)-2-Amino-5-phenylpent-4-enoic acid264903-53-9

Elsewhere

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