(S)-N-Fmoc-2-(3'-butenyl)glycine

C₂₁H₂₁NO₄CAS 851909-08-5351.40 g/mol

Open in Covalent MOL file

Alkene Carbamate Carboxylic acid

Properties

Molecular formula: C₂₁H₂₁NO₄
Molar mass: 351.40 g/mol
Exact mass: 351.1471 Da
logP: 3.94Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 7
Stereocentres: Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

851909-08-5

SMILES

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

InChIKey

CPJQXKHZCVDRSX-IBGZPJMESA-N

InChI

InChI=1S/C21H21NO4/c1-2-3-12-19(20(23)24)22-21(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h2,4-11,18-19H,1,3,12-13H2,(H,22,25)(H,23,24)/t19-/m0/s1

Weigh it out

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

Names and synonyms

1 names

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)hex-5-enoic acid

Work with (S)-N-Fmoc-2-(3'-butenyl)glycine

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

(R)-N-Fmoc-allylglycine170642-28-180 % similar Fmoc-glu(oall)-oh133464-46-775 % similar Fmoc-L-norvaline135112-28-673 % similar (2R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid144701-24-673 % similar Fmoc-orn(aloc)-oh147290-11-772 % similar Fmoc-asp(oall)-oh146982-24-371 % similar Fmoc-D-asp(oall)-oh177609-12-071 % similar Fmoc-dap(aloc)-oh188970-92-571 % similar

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

Same formula

D-Fmoc-pipecolic acid101555-63-9 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid105751-19-7 Fmoc-cycloleucine117322-30-2 (4S)-1-Fmoc-4-methyl-L-proline1228577-03-4 Fmoc-isonipecotic acid148928-15-8 1-(((9H-Fluoren-9-yl)methoxy)carbonyl)piperidine-3-carboxylic acid158922-07-7 (2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-2 4-(5-(4-(Pentyloxy)phenyl)-3-isoxazolyl)benzoic acid179162-55-1

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