chempirical

Fmoc-Valinol

C20H23NO3CAS 160885-98-3325.41 g/mol

Open in Covalent MOL file
HONHOO
Alcohol

Properties

Molecular formula
C20H23NO3
Molar mass
325.41 g/mol
Exact mass
325.1678 Da
Melting point
107–108 °C
logP
3.75Crippen estimate
Polar surface area
62.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
160885-98-3
SMILES
CC(C)[C@@H](CO)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
MYMGENAMKAPEMT-LJQANCHMSA-N
InChI
InChI=1S/C20H23NO3/c1-13(2)19(11-22)21-20(23)24-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19,22H,11-12H2,1-2H3,(H,21,23)/t19-/m1/s1

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Names and synonyms

4 names
  • 9H-Fluoren-9-ylmethyl N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]carbamate
  • Carbamic acid, N-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-, 9H-fluoren-9-ylmethyl ester
  • Carbamic acid, [1-(hydroxymethyl)-2-methylpropyl]-, 9H-fluoren-9-ylmethyl ester, (S)-
  • Carbamic acid, [(1S)-1-(hydroxymethyl)-2-methylpropyl]-, 9H-fluoren-9-ylmethyl ester

Work with Fmoc-Valinol

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-L-valine68858-20-864 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine35661-39-360 % similar N-(9-Fluorenylmethoxycarbonyl)-D-alanine79990-15-160 % similar (3R,4S)-3-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-4-methylhexanoic acid193954-27-758 % similar Fmoc-leucine35661-60-056 % similar N-((9H-Fluoren-9-ylmethoxy)carbonyl)-L-serine phenylmethyl ester73724-46-655 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-255 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alloisoleucine251316-98-054 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook