Fmoc-3-aminobenzoic acid

C₂₂H₁₇NO₄CAS 185116-42-1359.38 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₂₂H₁₇NO₄
Molar mass: 359.38 g/mol
Exact mass: 359.1158 Da
logP: 4.75Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 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

185116-42-1

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=CC(=C4)C(=O)O

InChIKey

VFXDSSUGFNVDJP-UHFFFAOYSA-N

InChI

InChI=1S/C22H17NO4/c24-21(25)14-6-5-7-15(12-14)23-22(26)27-13-20-18-10-3-1-8-16(18)17-9-2-4-11-19(17)20/h1-12,20H,13H2,(H,23,26)(H,24,25)

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Names and synonyms

1 names

3-(9-Fluorenylmethyloxycarbonyl)amino-benzoic acid

Work with Fmoc-3-aminobenzoic 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-3-aminomethylbenzoic acid155369-11-269 % similar 4-(Fmoc-aminomethyl)benzoic acid164470-64-860 % similar 9-Fluorenylmethyl N-hydroxycarbamate190656-01-054 % similar Boc-3-aminobenzoic acid111331-82-954 % similar Fmoc-B-ala-oh35737-10-151 % similar (9H-Fluoren-9-yl)methyl N-(2-hydroxyethyl)carbamate105496-31-950 % similar Fmoc-cycloleucine117322-30-250 % similar Fmoc-L-phenylglycine102410-65-149 % similar

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

Same formula

Fmoc-2-aminobenzoic acid150256-42-1 Fmoc-4-aminobenzoic acid185116-43-2

Elsewhere

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