4-Amino-1-boc-piperidine-4-carboxylic acid

C₁₁H₂₀N₂O₄CAS 183673-71-4244.29 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Primary amine

Properties

Molecular formula: C₁₁H₂₀N₂O₄
Molar mass: 244.29 g/mol
Exact mass: 244.1423 Da
logP: 0.80Crippen estimate
Polar surface area: 92.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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

183673-71-4

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C(=O)O)N

InChIKey

YNHLVALLAURVJF-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

4-Amino-1-(tert-butoxycarbonyl)piperidine-4-carboxylic acid

Work with 4-Amino-1-boc-piperidine-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

1-Boc-4-methylpiperidine-4-carboxylic acid189321-63-969 % similar 1-Boc-4-fluoro-4-piperidinecarboxylic acid614731-04-366 % similar 4-tert-Butoxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester189321-65-160 % similar 2-(4-Amino-1-(tert-butoxycarbonyl)piperidin-4-YL)acetic acid1159983-30-859 % similar 1-Boc-4-methyl-piperidin-4-OL406235-30-157 % similar 1-Boc-4-(hydroxymethyl)-4-methyl-piperidine236406-21-656 % similar tert-Butyl 4-(aminomethyl)-4-hydroxypiperidine-1-carboxylate392331-66-756 % similar 1,1-Dimethylethyl 4-fluoro-4-(hydroxymethyl)-1-piperidinecarboxylate614730-97-156 % 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-Boc-1-piperazineacetic acid156478-71-6 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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