5-(tert-Butoxycarbonylamino)-2-methoxypyridine-4-carboxylic acid

C12H16N2O5CAS 183741-86-8268.27 g/mol

Open in Covalent MOL file
OOHNNOHOO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C12H16N2O5
Molar mass
268.27 g/mol
Exact mass
268.1059 Da
logP
2.14Crippen estimate
Polar surface area
97.8 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3

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
183741-86-8
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1C(=O)O)OC
InChIKey
YSPBACAUWGFVRJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-8-6-13-9(18-4)5-7(8)10(15)16/h5-6H,1-4H3,(H,14,17)(H,15,16)

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Work with 5-(tert-Butoxycarbonylamino)-2-methoxypyridine-4-carboxylic 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

Boc-2-abz-oh68790-38-556 % similar 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-553 % similar 2-N-Boc-amino-thiazole-5-carboxylic acid302964-02-950 % similar Boc-4-abz-oh66493-39-846 % similar Boc-3-aminobenzoic acid111331-82-945 % similar 4-(Boc-amino)-1-methyl-1H-pyrrole-2-carboxylic Acid77716-11-144 % similar tert-Butyl [5-(hydroxymethyl)pyridin-2-yl)carbamate169280-83-542 % similar (6-((tert-Butoxycarbonyl)amino)pyridin-3-yl)boronic acid883231-20-742 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Musk ambrette83-66-9

Elsewhere

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