(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

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

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

Weigh it out

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-phe-oh286460-71-778 % similar Fmoc-D-phenylalanine86123-10-678 % similar Fmoc-D-tyr-oh112883-29-171 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-071 % similar Fmoc-L-4,4'-biphenylalanine199110-64-070 % similar Fmoc-3-chloro-L-phenylalanine198560-44-069 % similar Fmoc-L-3-fluorophe198560-68-869 % similar Fmoc-3-chloro-D-phenylalanine205526-23-469 % 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 Fmoc-D-4-pyridylalanine205528-30-9 Fmoc-(R)-3-amino-3-(3-pyridyl)-propionic acid511272-43-8

Elsewhere

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