chempirical

Fmoc-T-butyl-L-alanine

C22H25NO4CAS 139551-74-9367.45 g/mol

Open in Covalent MOL file
OOHNHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C22H25NO4
Molar mass
367.45 g/mol
Exact mass
367.1784 Da
logP
4.41Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
139551-74-9
SMILES
CC(C)(C)C[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
RPLVCXKSSXJFDS-IBGZPJMESA-N
InChI
InChI=1S/C22H25NO4/c1-22(2,3)12-19(20(24)25)23-21(26)27-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m0/s1

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Names and synonyms

1 names
  • Fmoc-beta-T-butyl-L-alanine

Work with Fmoc-T-butyl-L-alanine

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

9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-175 % similar Fmoc-L-aspartic acid119062-05-472 % similar Fmoc-D-cys(tbu)-oh131766-22-872 % similar Fmoc-D-ser-oh116861-26-871 % similar Fmoc-D-asn-OH108321-39-771 % similar (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-271 % similar Fmoc-D-aspartic acid beta-tert-butyl ester112883-39-370 % similar Fmoc-D-nle-oh112883-41-769 % similar

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

Same formula

Fmoc-N-methyl-L-leucine103478-62-2 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-D-leucine103478-63-3 Fmoc-N-methyl-L-norleucine112883-42-8 Fmoc-7-amino-heptanoic acid127582-76-7 Fmoc-N-methyl-L-isoleucine138775-22-1 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-2 (3R,4S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylhexanoic acid193954-27-7 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-L-leucine312624-65-0

Elsewhere

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