(3S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

C₁₀H₁₁NO₃CAS 128502-56-7193.20 g/mol

Open in Covalent MOL file

Carboxylic acid Phenol Secondary amine

Properties

Molecular formula: C₁₀H₁₁NO₃
Molar mass: 193.20 g/mol
Exact mass: 193.0739 Da
logP: 0.49Crippen estimate
Polar surface area: 69.6 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

128502-56-7

SMILES

C1[C@H](NCC2=C1C=CC(=C2)O)C(=O)O

InChIKey

HIKCRLDSCSWXML-VIFPVBQESA-N

InChI

InChI=1S/C10H11NO3/c12-8-2-1-6-4-9(10(13)14)11-5-7(6)3-8/h1-3,9,11-12H,4-5H2,(H,13,14)/t9-/m0/s1

Weigh it out

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

Names and synonyms

1 names

L-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Work with (3S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(3R)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid152286-30-1Enantiomer

Similar compounds

(3R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid103733-65-968 % similar 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid67123-97-168 % similar (-)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid74163-81-868 % similar 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride41994-51-863 % similar (3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-058 % similar (S)-3-(4-Hydroxyphenyl)-2-hydroxypropionic acid23508-35-246 % similar (+-)-3-(4-Hydroxyphenyl)lactic acid306-23-046 % similar D-Tyrosine556-02-545 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Benzoyl-DL-alanine1205-02-3 Methyl 4-((hydroxyimino)methyl)-2-methylbenzoate1261169-50-9 N-Formyl-L-phenylalanine13200-85-6 Ethyl oxanilate1457-85-8 N-Acetyl-DL-phenylglycine15962-46-6 Actarit18699-02-0 3,4,5-Trimethoxybenzonitrile1885-35-4

Elsewhere

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