Boc-2-abz-oh

C₁₂H₁₅NO₄CAS 68790-38-5237.25 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₂H₁₅NO₄
Molar mass: 237.25 g/mol
Exact mass: 237.1001 Da
logP: 2.73Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

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

68790-38-5

SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1C(=O)O

InChIKey

BYGHHEDJDSLEKK-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO4/c1-12(2,3)17-11(16)13-9-7-5-4-6-8(9)10(14)15/h4-7H,1-3H3,(H,13,16)(H,14,15)

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Work with Boc-2-abz-oh

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

N-(tert-Butoxycarbonyl)-1,2-phenylenediamine146651-75-460 % similar tert-Butyl hydrogen phthalate33693-84-459 % similar Boc-4-abz-oh66493-39-858 % similar 5-(tert-Butoxycarbonylamino)-2-methoxypyridine-4-carboxylic acid183741-86-856 % similar t-Butyl carbanilate3422-01-355 % similar tert-Butyl (2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate159624-15-453 % similar Fmoc-2-aminobenzoic acid150256-42-153 % similar N-Methylanthranilic acid119-68-653 % similar

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

Same formula

(3S)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid103733-66-0 Boc-3-aminobenzoic acid111331-82-9 L-Glutamic acid alpha-benzyl ester13030-09-6 Z-Aib-oh15030-72-5 N-(2,4-Dimethoxyphenyl)-3-oxobutanamide16715-79-0 γ-Benzyl L-glutamate1676-73-9 Z-N-Me-ala-OH21691-41-8 5-(Phenylmethyl) hydrogen D-glutamate2578-33-8

Elsewhere

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