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

C10H15NO5CAS 160347-90-0229.23 g/mol

Open in Covalent MOL file
OONOOHO
AmideCarbamateCarboxylic acidLactam

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

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

Weigh it out

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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

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.

1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate53100-44-0Enantiomer

Similar compounds

Di-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate91229-91-370 % similar 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-Boc-D-pyroglutamic acid ethyl ester144978-35-862 % similar Boc-L-pyroglutaminol81658-25-560 % similar 1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-760 % similar Boc-D-azetidine-2-carboxylic acid228857-58-760 % similar 1-Boc-L-azetidine-2-carboxylic acid51077-14-660 % 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)-4-oxo-1,2-pyrrolidinedicarboxylate84348-37-8 1-(tert-Butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid876317-19-0

Elsewhere

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