chempirical

Fmoc-L-beta-homoproline

C21H21NO4CAS 193693-60-6351.40 g/mol

Open in Covalent MOL file
NOOOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C21H21NO4
Molar mass
351.40 g/mol
Exact mass
351.1471 Da
logP
3.87Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
193693-60-6
SMILES
C1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)CC(=O)O
InChIKey
ZNIGOUDZWCDFFC-AWEZNQCLSA-N
InChI
InChI=1S/C21H21NO4/c23-20(24)12-14-6-5-11-22(14)21(25)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19H,5-6,11-13H2,(H,23,24)/t14-/m0/s1

Weigh it out

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

Work with Fmoc-L-beta-homoproline

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

N-(9-Fluorenylmethoxycarbonyl)-D-proline101555-62-866 % similar 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-piperidineacetic acid180181-05-966 % similar Fmoc-pro-oh71989-31-666 % similar 4-(1,1-Dimethylethyl) 1-(9H-fluoren-9-ylmethyl) 2-(carboxymethyl)-1,4-piperazinedicarboxylate183742-34-964 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-L-prolinyl-L-proline129223-22-960 % similar (S)-N-Fmoc-azetidine-2-carboxylic acid136552-06-259 % similar N-(9-Fluorenylmethoxycarbonyl)-N-methylglycine77128-70-257 % similar Weinreb linker247021-90-556 % 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

Elsewhere

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