chempirical

(S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester

C11H13NO2CAS 63492-82-0191.23 g/mol

Open in Covalent MOL file
OOHN
EsterSecondary amine

Properties

Molecular formula
C11H13NO2
Molar mass
191.23 g/mol
Exact mass
191.0946 Da
logP
1.59Crippen estimate
Polar surface area
38.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

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
63492-82-0
SMILES
COC(=O)[C@@H]1CCC2=CC=CC=C2N1
InChIKey
ACEPYLDNGYGKDY-JTQLQIEISA-N
InChI
InChI=1S/C11H13NO2/c1-14-11(13)10-7-6-8-4-2-3-5-9(8)12-10/h2-5,10,12H,6-7H2,1H3/t10-/m0/s1

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Names and synonyms

1 names
  • Methyl (2S)-1,2,3,4-tetrahydroquinoline-2-carboxylate

Work with (S)-1,2,3,4-Tetrahydro-quinoline-2-carboxylic acid methyl ester

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

6-Bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester511230-72-165 % similar Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate57060-86-355 % similar Methyl 1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride57060-88-551 % similar 2-Methyltetrahydroquinoline1780-19-449 % similar (±)-Indoline-2-carboxylic acid16851-56-244 % similar (±)-Indoline-2-carboxylic acid78348-24-044 % similar (S)-Indoline-2-carboxylic acid79815-20-644 % similar N-(Triphenylmethyl)-L-serine methyl ester4465-44-544 % 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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