chempirical

Fmoc-Lys(Me)3-OH chloride

C24H31ClN2O4CAS 201004-29-7446.97 g/mol

Open in Covalent MOL file
N+NO−OOOHHCl
Carboxylic acidQuaternary ammonium

Properties

Molecular formula
C24H31ClN2O4
Molar mass
446.97 g/mol
Exact mass
446.1972 Da
logP
3.28Crippen estimate
Polar surface area
82.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
9
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
201004-29-7
SMILES
C[N+](C)(C)CCCC[C@H](N=C([O-])OCC1c2ccccc2-c2ccccc21)C(=O)O.Cl
InChIKey
XUJRNPVABVHOAJ-FTBISJDPSA-N
InChI
InChI=1S/C24H30N2O4.ClH/c1-26(2,3)15-9-8-14-22(23(27)28)25-24(29)30-16-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21;/h4-7,10-13,21-22H,8-9,14-16H2,1-3H3,(H-,25,27,28,29);1H/t22-;/m0./s1

Weigh it out

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

Names and synonyms

3 names
  • 1-Pentanaminium, 5-carboxy-5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-N,N,N-trimethyl-, chloride (1:1), (5S)-
  • 1-Pentanaminium, 5-carboxy-5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-N,N,N-trimethyl-, chloride, (S)-
  • 1-Pentanaminium, 5-carboxy-5-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-N,N,N-trimethyl-, chloride, (5S)-

Work with Fmoc-Lys(Me)3-OH chloride

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

D-Fmoc-methionine112883-40-652 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-methionine71989-28-152 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-5-methyl-L-norleucine180414-94-252 % similar (αR)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclohexanepropanoic acid144701-25-751 % similar Fmoc-lys(boc)-OH71989-26-951 % similar (2S)-5-(((tert-Butoxy)carbonyl)amino)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)pentanoic acid109425-55-049 % similar 5-Methyl hydrogen N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-glutamate145038-50-249 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclobutanepropanoic acid478183-62-949 % similar

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

Elsewhere

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