chempirical

Fmoc-cycloleucine

C21H21NO4CAS 117322-30-2351.40 g/mol

Open in Covalent MOL file
OHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C21H21NO4
Molar mass
351.40 g/mol
Exact mass
351.1471 Da
logP
3.92Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Identifiers

CAS number
117322-30-2
SMILES
C1CCC(C1)(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
IECZEINPZOFWNU-UHFFFAOYSA-N
InChI
InChI=1S/C21H21NO4/c23-19(24)21(11-5-6-12-21)22-20(25)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-4,7-10,18H,5-6,11-13H2,(H,22,25)(H,23,24)

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Work with Fmoc-cycloleucine

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

1-[(Fmoc)amino]cyclohexanecarboxylic acid162648-54-658 % similar (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(2-fluorophenyl)-2-methylpropanoic acid1172127-44-456 % similar (9H-Fluoren-9-yl)methyl N-(2-hydroxyethyl)carbamate105496-31-955 % similar Fmoc-L-phenylglycine102410-65-154 % similar Fmoc-D-phg-oh111524-95-954 % similar Fmoc-gamma-abu-oh116821-47-753 % similar Fmoc-5-aminopentanoic acid123622-48-052 % similar 2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionic acid94744-50-052 % 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 (4S)-1-Fmoc-4-methyl-L-proline1228577-03-4 (2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-2 (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclopropanepropanoic acid214750-76-2 (3S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-5-hexenoic acid270263-04-2

Elsewhere

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