chempirical

(2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4,4-difluorobutanoic acid

C19H17F2NO4CAS 467442-21-3361.34 g/mol

Open in Covalent MOL file
OOHFFNHOO
Alkyl halideCarboxylic acid

Properties

Molecular formula
C19H17F2NO4
Molar mass
361.34 g/mol
Exact mass
361.1126 Da
logP
3.84Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
467442-21-3
SMILES
O=C(O)[C@H](CC(F)F)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
AYIZPDXXYIFMQC-INIZCTEOSA-N
InChI
InChI=1S/C19H17F2NO4/c20-17(21)9-16(18(23)24)22-19(25)26-10-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)15/h1-8,15-17H,9-10H2,(H,22,25)(H,23,24)/t16-/m0/s1

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

Names and synonyms

2 names
  • Butanoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-4,4-difluoro-, (2S)-
  • (S)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-4,4-difluoro-butyric acid

Work with (2S)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4,4-difluorobutanoic acid

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 acid170642-29-278 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclopropanepropanoic acid214750-76-278 % similar Fmoc-leucine35661-60-076 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclobutanepropanoic acid478183-62-975 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclohexanepropanoic acid144701-25-773 % similar Fmoc-L-phenylalanine35661-40-671 % similar Fmoc-L-propargylglycine198561-07-869 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-268 % similar

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

Elsewhere

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