4-(Fmoc-aminomethyl)benzoic acid

C₂₃H₁₉NO₄CAS 164470-64-8373.41 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₃H₁₉NO₄
Molar mass: 373.41 g/mol
Exact mass: 373.1314 Da
logP: 4.42Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

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

164470-64-8

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=CC=C(C=C4)C(=O)O

InChIKey

JRHUROPSUJVMNH-UHFFFAOYSA-N

InChI

InChI=1S/C23H19NO4/c25-22(26)16-11-9-15(10-12-16)13-24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21H,13-14H2,(H,24,27)(H,25,26)

Weigh it out

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Names and synonyms

1 names

4-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)benzoic acid

Work with 4-(Fmoc-aminomethyl)benzoic 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-4-aminobenzoic acid185116-43-271 % similar Fmoc-3-aminobenzoic acid185116-42-160 % similar Fmoc-B-ala-oh35737-10-158 % similar Fmoc-2-aminobenzoic acid150256-42-158 % similar (9H-Fluoren-9-yl)methyl N-(2-hydroxyethyl)carbamate105496-31-957 % similar 5-(9-Fluorenylmethyloxycarbonyl-amino)-3-oxapentanoic acid260367-12-256 % similar 9-Fluorenylmethyl N-hydroxycarbamate190656-01-055 % similar N-(9-Fluorenylmethoxycarbonyl)-3-aminopropan-1-ol157887-82-655 % similar

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

Same formula

Fmoc-L-phenylglycine102410-65-1 Fmoc-D-phg-oh111524-95-9 Fmoc-3-aminomethylbenzoic acid155369-11-2

Elsewhere

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