Fmoc-2-aminobenzoic acid

C22H17NO4CAS 150256-42-1359.38 g/mol

Open in Covalent MOL file
OONHOOH
CarbamateCarboxylic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

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
150256-42-1
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC4=CC=CC=C4C(=O)O
InChIKey
CNAVPEPPAVHHKN-UHFFFAOYSA-N
InChI
InChI=1S/C22H17NO4/c24-21(25)18-11-5-6-12-20(18)23-22(26)27-13-19-16-9-3-1-7-14(16)15-8-2-4-10-17(15)19/h1-12,19H,13H2,(H,23,26)(H,24,25)

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Names and synonyms

1 names
  • 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)benzoic acid

Work with Fmoc-2-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

9-Fluorenylmethyl N-hydroxycarbamate190656-01-058 % similar 4-(Fmoc-aminomethyl)benzoic acid164470-64-858 % similar (9H-Fluoren-9-yl)methyl N-(2-hydroxyethyl)carbamate105496-31-956 % similar Fmoc-3-aminomethylbenzoic acid155369-11-255 % similar Fmoc-B-ala-oh35737-10-154 % similar Boc-2-abz-oh68790-38-553 % similar Fmoc-cycloleucine117322-30-253 % similar Fmoc-L-phenylglycine102410-65-152 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Fmoc-3-aminobenzoic acid185116-42-1 Fmoc-4-aminobenzoic acid185116-43-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook