1-((tert-Butoxy)carbonyl)-3-methylpiperidine-3-carboxylic acid

C₁₂H₂₁NO₄CAS 534602-47-6243.30 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₂H₂₁NO₄
Molar mass: 243.30 g/mol
Exact mass: 243.1471 Da
logP: 2.11Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

534602-47-6

SMILES

CC1(CCCN(C1)C(=O)OC(C)(C)C)C(=O)O

InChIKey

LNQIKLOOSITZGB-UHFFFAOYSA-N

InChI

InChI=1S/C12H21NO4/c1-11(2,3)17-10(16)13-7-5-6-12(4,8-13)9(14)15/h5-8H2,1-4H3,(H,14,15)

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Names and synonyms

1 names

1-N-Boc-3-methylpiperidine-3-carboxylic acid

Work with 1-((tert-Butoxy)carbonyl)-3-methylpiperidine-3-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

1-Boc-4-methylpiperidine-4-carboxylic acid189321-63-970 % similar 1,1-Dimethylethyl 3-hydroxy-3-methyl-1-piperidinecarboxylate1104083-27-360 % similar 3-Benzyl-1-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid170838-83-259 % similar tert-Butyl 2-oxa-6-azaspiro[3.5]nonane-6-carboxylate1245816-29-857 % similar (2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid103336-06-756 % similar (R)-Boc-2-methylproline166170-15-656 % similar 4-Amino-1-boc-piperidine-4-carboxylic acid183673-71-456 % similar 1-[(tert-Butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid203869-80-156 % similar

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

Same formula

1-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-2 Boc-L-cyclopentylglycine109183-72-4 1-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid115951-16-1 1-(1,1-Dimethylethyl) 4-methyl 1,4-piperidinedicarboxylate124443-68-1 4-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclohexanecarboxylic acid130309-46-5 Methyl N-boc-piperidine-3-carboxylate148763-41-1 [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid157688-46-5 tert-Butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate158602-35-8

Elsewhere

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