chempirical

(R)-N-Fmoc-allylglycine

C20H19NO4CAS 170642-28-1337.38 g/mol

Open in Covalent MOL file
OOHNHOO
AlkeneCarbamateCarboxylic acid

Properties

Molecular formula
C20H19NO4
Molar mass
337.38 g/mol
Exact mass
337.1314 Da
logP
3.55Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
170642-28-1
SMILES
C=CC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
YVBLQCANYSFEBN-GOSISDBHSA-N
InChI
InChI=1S/C20H19NO4/c1-2-7-18(19(22)23)21-20(24)25-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h2-6,8-11,17-18H,1,7,12H2,(H,21,24)(H,22,23)/t18-/m1/s1

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

Names and synonyms

1 names
  • Fmoc-D-allylglycine

Work with (R)-N-Fmoc-allylglycine

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-asp(oall)-oh146982-24-374 % similar Fmoc-D-asp(oall)-oh177609-12-074 % similar Fmoc-dap(aloc)-oh188970-92-574 % similar Fmoc-glu(oall)-oh133464-46-771 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-570 % similar Fmoc-D-abu-oh170642-27-070 % similar Fmoc-dap(fmoc)-oh201473-90-770 % similar Fmoc-orn(aloc)-oh147290-11-769 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-(9-Fluorenylmethoxycarbonyl)-D-proline101555-62-8 Dihydroberberine483-15-8 Fmoc-pro-oh71989-31-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook