chempirical

Fmoc-L-propargylglycine

C20H17NO4CAS 198561-07-8335.36 g/mol

Open in Covalent MOL file
NHOOOOH
AlkyneCarboxylic acid

Properties

Molecular formula
C20H17NO4
Molar mass
335.36 g/mol
Exact mass
335.1158 Da
Melting point
175–177 °C
logP
3.21Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
198561-07-8
SMILES
C#CC[C@H](N=C(O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIKey
DJGMNCKHNMRKFM-SFHVURJKSA-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-/m0/s1

Weigh it out

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

Names and synonyms

4 names
  • 4-Pentynoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (2S)-
  • 4-Pentynoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (S)-
  • (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-pentynoic acid
  • (2S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)pent-4-ynoic acid

Work with Fmoc-L-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

Similar compounds

(2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-271 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclopropanepropanoic acid214750-76-271 % similar Fmoc-L-phenylalanine35661-40-671 % similar Fmoc-leucine35661-60-069 % similar (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4,4-difluorobutanoic acid467442-21-369 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-268 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclobutanepropanoic acid478183-62-968 % similar Fmoc-L-asparagine71989-16-768 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook