Boc-D-1,2,3,4-tetrahydronorharman-3-carboxylic acid

C₁₇H₂₀N₂O₄CAS 123910-26-9316.36 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₇H₂₀N₂O₄
Molar mass: 316.36 g/mol
Exact mass: 316.1423 Da
logP: 2.91Crippen estimate
Polar surface area: 82.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

123910-26-9

SMILES

CC(C)(C)OC(=O)N1CC2=C(C[C@@H]1C(=O)O)C3=CC=CC=C3N2

InChIKey

FHEPEWKHTOVVAT-CQSZACIVSA-N

InChI

InChI=1S/C17H20N2O4/c1-17(2,3)23-16(22)19-9-13-11(8-14(19)15(20)21)10-6-4-5-7-12(10)18-13/h4-7,14,18H,8-9H2,1-3H3,(H,20,21)/t14-/m1/s1

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Names and synonyms

1 names

Boc-D-tpi-OH

Work with Boc-D-1,2,3,4-tetrahydronorharman-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

Similar compounds

Boc-D-tic-oh115962-35-163 % similar Lycoperodine-142438-90-447 % similar 1,2,3,4-Tetrahydro-β-carboline-3-carboxylic acid6052-68-247 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-947 % similar 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-845 % similar Boc-D-N-me-phe DCHA102185-45-544 % similar N-[(1,1-Dimethylethoxy)carbonyl]-N-methyl-O-(phenylmethyl)-L-tyrosine64263-81-644 % similar 1-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-244 % similar

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

Elsewhere

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