Fmoc-L-2-furylalanine

C22H19NO5CAS 159611-02-6377.40 g/mol

Open in Covalent MOL file
OONHOOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C22H19NO5
Molar mass
377.40 g/mol
Exact mass
377.1263 Da
logP
3.81Crippen estimate
Polar surface area
88.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
159611-02-6
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=CO4)C(=O)O
InChIKey
AJXDCHXGNUFBRC-FQEVSTJZSA-N
InChI
InChI=1S/C22H19NO5/c24-21(25)20(12-14-6-5-11-27-14)23-22(26)28-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-11,19-20H,12-13H2,(H,23,26)(H,24,25)/t20-/m0/s1

Weigh it out

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

Work with Fmoc-L-2-furylalanine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-furanpropanoic acid220497-85-8Enantiomer

Similar compounds

Fmoc-phe-oh286460-71-771 % similar Fmoc-D-phenylalanine86123-10-671 % similar Fmoc-D-ser-oh116861-26-867 % similar Fmoc-L-serine73724-45-567 % similar Fmoc-D-tyr-oh112883-29-167 % similar (2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)propanoic acid92954-90-067 % similar Fmoc-3-(4-pyridyl)-L-alanine169555-95-766 % similar Fmoc-D-pentafluorophenylalanine198545-85-666 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-(R)-3-amino-3-(2-furyl)-propionic acid1217662-55-9

Elsewhere

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