4-Boc-1-piperazineacetic acid

C₁₁H₂₀N₂O₄CAS 156478-71-6244.29 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Tertiary amine

Properties

Molecular formula: C₁₁H₂₀N₂O₄
Molar mass: 244.29 g/mol
Exact mass: 244.1423 Da
logP: 0.62Crippen estimate
Polar surface area: 70.1 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

156478-71-6

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)O

InChIKey

WZBHMXRBXXCEDD-UHFFFAOYSA-N

InChI

InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-6-4-12(5-7-13)8-9(14)15/h4-8H2,1-3H3,(H,14,15)

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Type any one amount. The others follow from the molar mass.

Work with 4-Boc-1-piperazineacetic 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

Tri-tert-butyl 1 4 7 10-tetraazacyclodod137076-54-168 % similar [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid157688-46-561 % similar [(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-661 % similar 3-(1-((tert-Butoxy)carbonyl)piperidin-4-yl)propanoic acid154775-43-660 % similar 2-(4-Amino-1-(tert-butoxycarbonyl)piperidin-4-YL)acetic acid1159983-30-858 % similar N-Boc-piperazine57260-71-657 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-656 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-856 % similar

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

Same formula

1-tert-Butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate121148-00-3 1-tert-Butyl 3-methyl piperazine-1,3-dicarboxylate129799-08-2 1-(1,1-Dimethylethyl) 2-methyl 1,2-piperazinedicarboxylate129799-15-1 4-Amino-1-boc-piperidine-4-carboxylic acid183673-71-4 1-(1,1-Dimethylethyl) 3-methyl (3S)-1,3-piperazinedicarboxylate314741-39-4 1-(1,1-Dimethylethyl) 3-methyl (3R)-1,3-piperazinedicarboxylate438631-77-7

Elsewhere

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