N-Fmoc-8-aminooctanoic acid

C23H27NO4CAS 126631-93-4381.47 g/mol

Open in Covalent MOL file
OONHOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C23H27NO4
Molar mass
381.47 g/mol
Exact mass
381.1940 Da
logP
4.95Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
10

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
126631-93-4
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCCCC(=O)O
InChIKey
QZQXRZXYWVQWAY-UHFFFAOYSA-N
InChI
InChI=1S/C23H27NO4/c25-22(26)14-4-2-1-3-9-15-24-23(27)28-16-21-19-12-7-5-10-17(19)18-11-6-8-13-20(18)21/h5-8,10-13,21H,1-4,9,14-16H2,(H,24,27)(H,25,26)

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Names and synonyms

1 names
  • 8-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)octanoic acid

Work with N-Fmoc-8-aminooctanoic 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

Fmoc-7-amino-heptanoic acid127582-76-7100 % similar Fmoc-6-aminohexanoic acid88574-06-5100 % similar Fmoc-5-aminopentanoic acid123622-48-098 % similar Fmoc-gamma-abu-oh116821-47-791 % similar Fmoc-B-ala-oh35737-10-184 % similar Fmoc-N-amido-peg1-acid1654740-73-473 % similar Fmoc-N-amido-peg24-acid2170484-59-872 % similar Fmoc-15-amino-4,7,10,13-tetraoxapentadecanoic acid557756-85-172 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2E,4R)-5-[1,1′-Biphenyl]-4-yl-4-[[(1,1-dimethylethoxy)carbonyl]amino]-2-methyl-2-pentenoic acid1012341-48-8

Elsewhere

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