(R)-Boc-5-oxopyrrolidine-2-carboxylic acid

C₁₀H₁₅NO₅CAS 160347-90-0229.23 g/mol

Open in Covalent MOL file

Amide Carbamate Carboxylic acid Lactam

Properties

Molecular formula: C₁₀H₁₅NO₅
Molar mass: 229.23 g/mol
Exact mass: 229.0950 Da
logP: 1.00Crippen estimate
Polar surface area: 83.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

160347-90-0

SMILES

CC(C)(C)OC(=O)N1[C@H](CCC1=O)C(=O)O

InChIKey

MJLQPFJGZTYCMH-ZCFIWIBFSA-N

InChI

InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-6(8(13)14)4-5-7(11)12/h6H,4-5H2,1-3H3,(H,13,14)/t6-/m1/s1

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Names and synonyms

1 names

Boc-D-pyr-oh

Work with (R)-Boc-5-oxopyrrolidine-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

1-(1,1-Dimethylethyl) 2-methyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate108963-96-865 % similar 1-(1,1-Dimethylethyl) 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate144978-12-162 % similar 1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-956 % similar 1-(1,1-Dimethylethyl) 2-(phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate113400-36-554 % similar Boc-N-me-ser-oh101772-29-653 % similar 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-053 % similar 1-(1,1-Dimethylethyl) (2S)-4,4-dimethyl-1,2-pyrrolidinedicarboxylate1001353-87-252 % similar 1-Boc-azetidine-3-carboxylic acid142253-55-251 % similar

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

Same formula

(-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate41372-08-1 1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate53100-44-0 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-8

Elsewhere

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