chempirical

Fmoc-2-methyl-D-phenylalanine

C25H23NO4CAS 352351-63-4401.46 g/mol

Open in Covalent MOL file
NHOOOOH
Carboxylic 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
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
352351-63-4
SMILES
Cc1ccccc1C[C@@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
GYFMRMRGTNDDAT-HSZRJFAPSA-N
InChI
InChI=1S/C25H23NO4/c1-16-8-2-3-9-17(16)14-23(24(27)28)26-25(29)30-15-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-methyl-D-phenylalanine
  • D-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-2-methyl-
  • 1005: PN: WO2006135786 PAGE: 72 claimed sequence
  • 313: PN: US20070042401 PAGE: 39 claimed sequence

Work with Fmoc-2-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.

Fmoc-L-2-methylphe211637-75-1Enantiomer

Similar compounds

(αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid138774-93-375 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-2-fluoro-L-phenylalanine205526-26-775 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-1-naphthalenepropanoic acid96402-49-275 % similar Fmoc-L-phenylalanine35661-40-672 % similar (βS)-β-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methylbenzenebutanoic acid270062-91-469 % similar Fmoc-D-4-iodophenylalanine205526-29-068 % similar Fmoc-L-3-methylphenylalanine211637-74-068 % similar Fmoc-leucine35661-60-067 % 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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