1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate

C₁₁H₁₉NO₄CAS 163438-09-3229.28 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₁H₁₉NO₄
Molar mass: 229.28 g/mol
Exact mass: 229.1314 Da
logP: 1.72Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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

163438-09-3

SMILES

CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)O)C1

InChIKey

NXILIHONWRXHFA-MRVPVSSYSA-N

InChI

InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1

Weigh it out

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

Names and synonyms

16 names · show all

1,3-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3R)-
1,3-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (R)-
(R)-N-(tert-Butoxycarbonyl)nipecotic acid
Boc (R)-nipecotic acid
N-tert-Butoxycarbonyl-(R)-nipecotic acid
(3R)-1-(tert-Butoxycarbonyl)-3-piperidinecarboxylic acid
(3R)-Piperidine-1,3-dicarboxylic acid 1-tert-butyl ester
(3R)-1-[[(1,1-Dimethylethyl)oxy]carbonyl]-3-piperidinecarboxylic acid
(R)-N-Boc-nipecotic acid
(R)-(-)-N-Boc-nipecotic acid
(R)-1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid
(R)-N-Boc-piperidine-3-carboxylic acid
(R)-N-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid
(R)-1-Boc-nipecotic acid
(3R)-1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
(3R)-1-[(tert-Butoxy)carbonyl]piperidine-3-carboxylic acid

Work with 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate

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.

L-1-Boc-nipecotic acid88495-54-9Enantiomer 1-((tert-Butoxy)carbonyl)piperidine-3-carboxylic acid71381-75-4Stereo not defined 1-Boc-3-piperidinecarboxylic acid84358-12-3Stereo not defined

Similar compounds

(3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid140148-70-586 % similar 1-((tert-Butoxy)carbonyl)pyrrolidine-3-carboxylic acid59378-75-586 % similar (3R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid72925-16-786 % similar 1-Boc-Azetidine-3-carboxylic acid142253-55-276 % similar 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid174316-71-372 % similar N-Boc-piperidine-4-carboxylic acid84358-13-472 % similar 3-Acetyl-piperidine-1-carboxylic acid tert-butyl ester858643-92-268 % similar 3-Carbamoyl-piperidine-1-carboxylic acid tert-butyl ester91419-49-767 % similar

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

Same formula

2-((2R)-1-((tert-Butoxy)carbonyl)pyrrolidin-2-yl)acetic acid101555-60-6 (S)-(-)-3-tert-Butoxycarbonyl-4-formyl-2,2-dimethyl-1,3-oxazolidine102308-32-7 (2S)-1-(tert-Butoxycarbonyl)-2-methylpyrrolidine-2-carboxylic acid103336-06-7 L-Glutamic acid 5-cyclohexyl ester112471-82-6 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-9 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-7 Methyl cis-3-(boc-amino)C...142733-63-9 (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-4

Elsewhere

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