chempirical

Fmoc-L-3-methylphenylalanine

C25H23NO4CAS 211637-74-0401.46 g/mol

Open in Covalent MOL file
NHOOOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C25H23NO4
Molar mass
401.46 g/mol
Exact mass
401.1627 Da
logP
4.73Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
211637-74-0
SMILES
Cc1cccc(C[C@H](N=C(O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c1
InChIKey
NJXPSSISZLAXRE-QHCPKHFHSA-N
InChI
InChI=1S/C25H23NO4/c1-16-7-6-8-17(13-16)14-23(24(27)28)26-25(29)30-15-22-20-11-4-2-9-18(20)19-10-3-5-12-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m0/s1

Weigh it out

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

Names and synonyms

2 names
  • N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-methyl-L-phenylalanine
  • L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-methyl-

Work with Fmoc-L-3-methylphenylalanine

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.

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(m-tolyl)propanoic acid352351-64-5Enantiomer

Similar compounds

Fmoc-L-phenylalanine35661-40-681 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-fluoro-D-phenylalanine198545-72-177 % similar 3-Bromo-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine220497-48-376 % similar Fmoc-3,4-dichloro-D-phenylalanine177966-58-474 % similar Fmoc-3,4-dichloro-L-phenylalanine177966-59-574 % similar Fmoc-D-3-cyanophenylalanine205526-37-073 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-(trifluoromethyl)-D-phenylalanine205526-28-972 % similar (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-([1,1'-biphenyl]-4-yl)propanoic acid205526-38-172 % 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-N-methyl-D-phenylalanine138775-05-0 Fmoc-L-beta-homophenylalanine193954-28-8 Fmoc-L-4-methylphe199006-54-7 Fmoc-D-4-methylphe204260-38-8

Elsewhere

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