chempirical

1-((Fmoc)amino)cyclohexanecarboxylic acid

C22H23NO4CAS 162648-54-6365.43 g/mol

Open in Covalent MOL file
OOHNHOO
Carboxylic acid

Properties

Molecular formula
C22H23NO4
Molar mass
365.43 g/mol
Exact mass
365.1627 Da
Melting point
171–172 °C
logP
4.52Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

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
162648-54-6
SMILES
O=C(O)C1(N=C(O)OCC2c3ccccc3-c3ccccc32)CCCCC1
InChIKey
VCIVAWBKUQJNSX-UHFFFAOYSA-N
InChI
InChI=1S/C22H23NO4/c24-20(25)22(12-6-1-7-13-22)23-21(26)27-14-19-17-10-4-2-8-15(17)16-9-3-5-11-18(16)19/h2-5,8-11,19H,1,6-7,12-14H2,(H,23,26)(H,24,25)

Weigh it out

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

Names and synonyms

5 names
  • 1-[(Fmoc)amino]cyclohexanecarboxylic acid
  • Cyclohexanecarboxylic acid, 1-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-
  • 1-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclohexanecarboxylic acid
  • 1-([[(9H-Fluoren-9-yl)methoxy]carbonyl]amino)cyclohexane-1-carboxylic acid
  • 1-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclohexane-1-carboxylic acid

Work with 1-((Fmoc)amino)cyclohexanecarboxylic 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

2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-2-methylpropionic acid94744-50-068 % similar Fmoc-alpha-methyl-L-leucine312624-65-061 % similar (S)-Fmoc-2-amino-3-tert-butoxy-2-methyl-propionic acid914399-98-761 % similar 1-(9H-Fluoren-9-ylmethyl) 4-[[(1,1-dimethylethoxy)carbonyl]amino]-1,4-piperidinedicarboxylate368866-07-361 % similar Fmoc-cycloleucine117322-30-258 % similar 1-[[(Phenylmethoxy)carbonyl]amino]cyclopropanecarboxylic acid84677-06-554 % similar Fmoc-gly-OH29022-11-554 % similar N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine35661-39-351 % similar

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

Same formula

Nequinate13997-19-8 1-[(9H-Fluoren-9-ylmethoxy)carbonyl]-4-piperidineacetic acid180181-05-9 (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclobutanepropanoic acid478183-62-9

Elsewhere

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