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

Hazards

Warning

H303 May be harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid242459-97-876 % similar N-(tert-Butoxycarbonyl)iminodiacetic Acid56074-20-574 % similar Tri-tert-butyl 1 4 7 10-tetraazacyclodod137076-54-168 % similar Boc-N-ethyl glycine149794-10-566 % similar tert-Butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate77279-24-463 % 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

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-tert-Butyl 2-methyl (2R,4S)-4-aminopyrrolidine-1,2-dicarboxylate254881-77-1 1-(1,1-Dimethylethyl) 3-methyl (3S)-1,3-piperazinedicarboxylate314741-39-4 1-(1,1-Dimethylethyl) 3-methyl (3R)-1,3-piperazinedicarboxylate438631-77-7 (S)-1-N-Boc-piperazine-2-carboxylic acid methyl ester796096-64-5

Elsewhere

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