chempirical

(R)-3-Carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester

C11H19NO4CAS 204688-60-8229.28 g/mol

Open in Covalent MOL file
OONOOH
CarbamateCarboxylic 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 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
204688-60-8
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C1)CC(=O)O
InChIKey
SKEXQIJIXQSFRX-MRVPVSSYSA-N
InChI
InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-5-4-8(7-12)6-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m1/s1

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Names and synonyms

1 names
  • (R)-N-Boc-3-pyrrolidineacetic acid

Work with (R)-3-Carboxymethyl-pyrrolidine-1-carboxylic acid tert-butyl ester

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-pyrrolidine-3-acetic acid175526-97-3100 % similar (3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-pyrrolidineacetic acid204688-61-9100 % similar N-Boc-3-piperidineacetic acid183483-09-285 % similar [1-(tert-Butoxycarbonyl)piperidin-4-yl]acetic acid157688-46-584 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-679 % similar 3-(1-((tert-Butoxy)carbonyl)piperidin-4-yl)propanoic acid154775-43-669 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-060 % similar N-Boc-4-piperidinemethanol123855-51-660 % 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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