Fmoc-N-methyl-D-phenylalanine

C25H23NO4CAS 138775-05-0401.46 g/mol

Open in Covalent MOL file
NOOHOO
CarbamateCarboxylic acid

Properties

Molecular formula
C25H23NO4
Molar mass
401.46 g/mol
Exact mass
401.1627 Da
logP
4.56Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
138775-05-0
SMILES
CN([C@H](CC1=CC=CC=C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChIKey
GBROUWPNYVBLFO-HSZRJFAPSA-N
InChI
InChI=1S/C25H23NO4/c1-26(23(24(27)28)15-17-9-3-2-4-10-17)25(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22-23H,15-16H2,1H3,(H,27,28)/t23-/m1/s1

Weigh it out

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

Work with Fmoc-N-methyl-D-phenylalanine

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.

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid77128-73-5Enantiomer

Similar compounds

N-Fmoc-N-methyl-3-(2-naphthyl)-L-alanine2138482-09-278 % similar N-Alpha-(9-Fluorenylmethyloxycarbonyl)-N-alpha-methyl-O-t-butyl-L-tyrosine133373-24-777 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline252049-05-175 % similar Fmoc-N-methyl-L-leucine103478-62-274 % similar N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-N-methyl-D-leucine103478-63-374 % similar Fmoc-N-methyl-L-norleucine112883-42-872 % similar N-Fmoc-N-methyl-O-tert-butyl-L-serine197632-77-271 % similar Cbz-N-methyl-L-phenylalanine2899-07-270 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-L-homophenylalanine132684-59-4 Fmoc-alpha-methyl-L-phe135944-05-7 Fmoc-D-homophenylalanine135944-09-1 Fmoc-D-homophenylalanine135994-09-1 Fmoc-L-beta-homophenylalanine193954-28-8 Fmoc-L-4-methylphe199006-54-7 Fmoc-D-4-methylphe204260-38-8 (βR)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]benzenebutanoic acid209252-16-4

Elsewhere

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