N-Boc-3-piperidineacetic acid

C12H21NO4CAS 183483-09-2243.30 g/mol

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OONOOH
CarbamateCarboxylic 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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
183483-09-2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)CC(=O)O
InChIKey
QZYGREZDLJVVSV-UHFFFAOYSA-N
InChI
InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-6-4-5-9(8-13)7-10(14)15/h9H,4-8H2,1-3H3,(H,14,15)

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Names and synonyms

1 names
  • 2-(1-((tert-Butoxy)carbonyl)piperidin-3-yl)acetic acid

Work with N-Boc-3-piperidineacetic 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-2-(1-(tert-Butoxycarbonyl)piperidin-3-yl)acetic acid941289-27-6Defined stereoisomer

Similar compounds

1-Boc-pyrrolidine-3-acetic acid175526-97-385 % similar (R)-3-Carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester204688-60-885 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-985 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-675 % similar N-Boc-piperidine-3-methanol116574-71-170 % similar tert-Butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate140695-84-770 % similar tert-Butyl (3R)-3-(hydroxymethyl)piperidine-1-carboxylate140695-85-870 % similar tert-Butyl 3-(2-hydroxyethyl)piperidine-1-carboxylate146667-84-770 % 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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