(2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-3-yl)propanoic acid

C₂₃H₂₀N₂O₄CAS 175453-07-3388.42 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₃H₂₀N₂O₄
Molar mass: 388.42 g/mol
Exact mass: 388.1423 Da
logP: 3.62Crippen estimate
Polar surface area: 88.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

175453-07-3

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CN=CC=C4)C(=O)O

InChIKey

JQLPMTXRCLXOJO-NRFANRHFSA-N

InChI

InChI=1S/C23H20N2O4/c26-22(27)21(12-15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/m0/s1

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

Names and synonyms

1 names

(S)-N-Fmoc-(3-pyridyl)alanine

Work with (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(pyridin-3-yl)propanoic 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

Fmoc-D-tyr-oh112883-29-171 % similar Fmoc-his-oh116611-64-468 % similar Fmoc-L-homophenylalanine132684-59-467 % similar Fmoc-2-nal-oh112883-43-967 % similar Fmoc-bpa-oh117666-96-366 % similar Fmoc-D-4-carbamoylphe1217610-39-366 % similar Fmoc-tyr-tyr-oh1269665-49-765 % similar Boc-3-(3-pyridyl)-L-alanine117142-26-465 % similar

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

Same formula

Fmoc-3-(4-pyridyl)-L-alanine169555-95-7 Fmoc-D-2-pyridylalanine185379-39-9 (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-pyridinepropanoic acid185379-40-2

Elsewhere

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