chempirical

Fmoc-D-propargylglycine

C20H17NO4CAS 220497-98-3335.36 g/mol

Open in Covalent MOL file
OOHNHOO
AlkyneCarbamateCarboxylic acid

Properties

Molecular formula
C20H17NO4
Molar mass
335.36 g/mol
Exact mass
335.1158 Da
logP
3.00Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
220497-98-3
SMILES
C#CC[C@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChIKey
DJGMNCKHNMRKFM-GOSISDBHSA-N
InChI
InChI=1S/C20H17NO4/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/h1,3-6,8-11,17-18H,7,12H2,(H,21,24)(H,22,23)/t18-/m1/s1

Weigh it out

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

Work with Fmoc-D-propargylglycine

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-propargylglycine198561-07-8Enantiomer

Similar compounds

Fmoc-D-ser-oh116861-26-873 % similar Fmoc-D-asn-OH108321-39-772 % similar (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)butanoic acid135112-27-571 % similar Fmoc-D-abu-oh170642-27-071 % similar Fmoc-dap(fmoc)-oh201473-90-771 % similar Fmoc-L-aspartic acid119062-05-470 % similar Fmoc-L-norvaline135112-28-670 % similar Fmoc-D-asp-oh136083-57-370 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook