N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valine

C₂₁H₂₃NO₄CAS 84000-11-3353.42 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₁H₂₃NO₄
Molar mass: 353.42 g/mol
Exact mass: 353.1627 Da
Melting point: 187–189 °C
logP: 3.98Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation33.3% of notifiers
H319 Causes serious eye irritation33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

84000-11-3

SMILES

CC(C)[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

InChIKey

YCXXXPZNQXXRIG-IBGZPJMESA-N

InChI

InChI=1S/C21H23NO4/c1-13(2)19(20(23)24)22(3)21(25)26-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,13,18-19H,12H2,1-3H3,(H,23,24)/t19-/m0/s1

Weigh it out

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

Names and synonyms

5 names

L-Valine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
N-(9-Fluorenylmethoxycarbonyl)-N-methylvaline
(2S)-2-[9H-Fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoic acid
(2S)-2-([[(9H-Fluoren-9-yl)methoxy]carbonyl](methyl)amino)-3-methylbutanoic acid
(2S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acid

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fmoc-N-methyl-D-valine103478-58-6Enantiomer

Similar compounds

Fmoc-N-methyl-L-isoleucine138775-22-178 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-alanine84000-07-776 % similar O-(1,1-Dimethylethyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-threonine117106-20-473 % similar Fmoc-N-methyl-O-benzyl-L-threonine198561-81-871 % similar Fmoc-N-methyl-L-leucine103478-62-270 % similar N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N-methyl-D-leucine103478-63-370 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-168 % similar Fmoc-N-methyl-D-phenylalanine138775-05-067 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl (2R,3S)-6-oxo-2,3-diphenylmorpholine-4-carboxylate112741-49-8 1,1-Dimethylethyl (2S,3R)-6-oxo-2,3-diphenyl-4-morpholinecarboxylate112741-50-1 Fmoc-D-nle-oh112883-41-7 (2R)-2-(((9H-Fluoren-9-ylmethoxy)carbonyl)amino)-4-methylpentanoic acid114360-54-2 Fmoc-D-allo-ile-oh118904-37-3 (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3,3-dimethylbutanoic acid132684-60-7 Fmoc-D-ile-oh143688-83-9

Elsewhere

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