chempirical

1-[(tert-Butoxy)carbonyl]-2-methylpyrrolidine-2-carboxylic acid

C11H19NO4CAS 203869-80-1229.28 g/mol

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NOOOHO
CarbamateCarboxylic acid

Properties

Molecular formula
C11H19NO4
Molar mass
229.28 g/mol
Exact mass
229.1314 Da
logP
1.86Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
203869-80-1
SMILES
CC1(CCCN1C(=O)OC(C)(C)C)C(=O)O
InChIKey
YQXRKJHVAUKXRN-UHFFFAOYSA-N
InChI
InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-7-5-6-11(12,4)8(13)14/h5-7H2,1-4H3,(H,13,14)

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Names and synonyms

1 names
  • Boc-alpha-allyl-me-dl-pro-oh

Work with 1-[(tert-Butoxy)carbonyl]-2-methylpyrrolidine-2-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

(R)-Boc-2-methylproline166170-15-6100 % similar 1-Boc-4-methylpiperidine-4-carboxylic acid189321-63-953 % similar 4-Amino-1-boc-piperidine-4-carboxylic acid183673-71-451 % similar 4-tert-Butoxycarbonylamino-piperidine-1,4-dicarboxylic acid mono-tert-butyl ester189321-65-147 % similar Boc-N,2-dimethylalanine146000-39-747 % similar 3-Benzyl-1-[(tert-butoxy)carbonyl]piperidine-3-carboxylic acid170838-83-246 % similar 1,1-Dimethylethyl 3-hydroxy-3-methyl-1-piperidinecarboxylate1104083-27-346 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-845 % 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

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