3-(1-((tert-Butoxy)carbonyl)piperidin-4-yl)propanoic acid

C₁₃H₂₃NO₄CAS 154775-43-6257.33 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₃H₂₃NO₄
Molar mass: 257.33 g/mol
Exact mass: 257.1627 Da
logP: 2.50Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

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

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

154775-43-6

SMILES

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

InChIKey

XWZDPNBLQJCKNC-UHFFFAOYSA-N

InChI

InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)

Weigh it out

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Names and synonyms

1 names

1-Boc-piperidin-4-ylpropionic acid

Work with 3-(1-((tert-Butoxy)carbonyl)piperidin-4-yl)propanoic 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-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid157688-46-577 % similar 1-(tert-Butoxycarbonyl)-4-(2-hydroxyethyl)piperidine89151-44-069 % similar 1-Boc-pyrrolidine-3-acetic acid175526-97-369 % similar (R)-3-Carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester204688-60-869 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-969 % similar 4-(2-Aminoethyl)-1-boc-piperidine146093-46-168 % similar 3-(4-(tert-Butoxycarbonyl)piperazin-1-yl)propanoic acid242459-97-866 % similar N-Boc-4-piperidinemethanol123855-51-665 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(tert-Butoxycarbonyl)-L-cyclohexylglycine109183-71-3 Ethyl 1-boc-3-piperidinecarboxylate130250-54-3 1-tert-Butyl 4-ethyl piperidine-1,4-dicarboxylate142851-03-4 Methyl cis-4-(boc-amino)cyclohexanecarboxylate146307-51-9 (1r,4r)-4-((((tert-Butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid162046-58-4 tert-Butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate175213-46-4 Boc-1,4-trans-acha-oh189153-10-4 Boc-tranexamic acid27687-14-5

Elsewhere

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