(R)-N-Fmoc-allylglycine

C₂₀H₁₉NO₄CAS 170642-28-1337.38 g/mol

Open in Covalent MOL file

Alkene Carbamate Carboxylic acid

Properties

Molecular formula: C₂₀H₁₉NO₄
Molar mass: 337.38 g/mol
Exact mass: 337.1314 Da
logP: 3.55Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6
Stereocentres: Rin 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 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

170642-28-1

SMILES

C=CC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13

InChIKey

YVBLQCANYSFEBN-GOSISDBHSA-N

InChI

InChI=1S/C20H19NO4/c1-2-7-18(19(22)23)21-20(24)25-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h2-6,8-11,17-18H,1,7,12H2,(H,21,24)(H,22,23)/t18-/m1/s1

Weigh it out

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

Names and synonyms

1 names

Fmoc-D-allylglycine

Work with (R)-N-Fmoc-allylglycine

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

(S)-N-Fmoc-2-(3'-butenyl)glycine851909-08-580 % similar Fmoc-asp(oall)-oh146982-24-374 % similar Fmoc-D-asp(oall)-oh177609-12-074 % similar Fmoc-dap(aloc)-oh188970-92-574 % similar Fmoc-D-ser-oh116861-26-871 % similar Fmoc-glu(oall)-oh133464-46-771 % similar Fmoc-L-serine73724-45-571 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-570 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2R)-1-((9H-Fluoren-9-ylmethoxy)carbonyl)pyrrolidine-2-carboxylic acid101555-62-8 Dihydroberberine483-15-8 Fmoc-pro-OH71989-31-6 MK 80177086-22-7

Elsewhere

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