chempirical

Fmoc-L-beta-homoalanine

C19H19NO4CAS 193954-26-6325.36 g/mol

Open in Covalent MOL file
OHONHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C19H19NO4
Molar mass
325.36 g/mol
Exact mass
325.1314 Da
logP
3.39Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
193954-26-6
SMILES
C[C@@H](CC(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
LYMLSPRRJWJJQD-LBPRGKRZSA-N
InChI
InChI=1S/C19H19NO4/c1-12(10-18(21)22)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17H,10-11H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • (3S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid

Work with Fmoc-L-beta-homoalanine

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)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-methylpentanoic acid172695-33-975 % similar Fmoc-L-beta-homoleucine193887-44-472 % similar Fmoc-L-aspartic acid119062-05-469 % similar Fmoc-D-asp-oh136083-57-369 % similar Fmoc-(S)-3-amino-3-phenylpropionic acid209252-15-369 % similar Fmoc-L-beta-homophenylalanine193954-28-868 % similar (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tert-butoxy)-4-oxobutanoic acid129460-09-967 % similar Fmoc-D-asp-otbu134098-70-767 % similar

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

Same formula

Fmoc-gamma-abu-oh116821-47-7 (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-5 (4S,5R)-3-Benzoyl-2,2-dimethyl-4-phenyloxazolidine-5-carboxylic acid153652-70-1 Fmoc-D-abu-oh170642-27-0 N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-7 2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionic acid94744-50-0

Elsewhere

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