(4S)-1-Fmoc-4-methyl-L-proline

C21H21NO4CAS 1228577-03-4351.40 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
3.73Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1228577-03-4
SMILES
C[C@H]1C[C@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChIKey
BMGFKWBYQPNFGZ-DJJJIMSYSA-N
InChI
InChI=1S/C21H21NO4/c1-13-10-19(20(23)24)22(11-13)21(25)26-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,13,18-19H,10-12H2,1H3,(H,23,24)/t13-,19-/m0/s1

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Work with (4S)-1-Fmoc-4-methyl-L-proline

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

Fmoc-L-hydroxyproline88050-17-376 % similar (2S,4R)-1-(((9H-Fluoren-9-yl)methoxy)carbonyl)-4-fluoropyrrolidine-2-carboxylic acid203866-20-075 % similar Fmoc-hyp(tbu)-oh122996-47-871 % similar (2S,4S)-4-(tert-Butoxy)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidine-2-carboxylic acid464193-92-871 % similar (2R)-1-((9H-Fluoren-9-ylmethoxy)carbonyl)pyrrolidine-2-carboxylic acid101555-62-869 % similar Fmoc-pro-OH71989-31-669 % similar (S)-N-Fmoc-azetidine-2-carboxylic acid136552-06-269 % similar Fmoc-hyp(bzl)-oh174800-02-368 % 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 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 Fmoc-L-beta-homoproline193693-60-6

Elsewhere

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