1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate

C10H15NO5CAS 84348-37-8229.23 g/mol

Open in Covalent MOL file
OONOOHO
CarbamateCarboxylic acidKetone

Properties

Molecular formula
C10H15NO5
Molar mass
229.23 g/mol
Exact mass
229.0950 Da
Melting point
159–163 °C
logP
0.65Crippen estimate
Polar surface area
83.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
84348-37-8
SMILES
CC(C)(C)OC(=O)N1CC(=O)C[C@H]1C(=O)O
InChIKey
CKYGSXRXTIKGAJ-ZETCQYMHSA-N
InChI
InChI=1S/C10H15NO5/c1-10(2,3)16-9(15)11-5-6(12)4-7(11)8(13)14/h7H,4-5H2,1-3H3,(H,13,14)/t7-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) ester, (2S)-
  • 1-(tert-Butoxycarbonyl)-4-oxo-L-proline
  • (S)-1-(tert-Butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid
  • N-Boc-4-oxo-L-proline
  • 1,2-Pyrrolidinedicarboxylic acid, 4-oxo-, 1-(1,1-dimethylethyl) ester, (S)-
  • N-tert-Butoxycarbonyl-4-oxo-L-proline
  • (2S)-1-(tert-Butoxycarbonyl)-4-oxo-2-pyrrolidinecarboxylic acid
  • N-tert-Butoxycarbonyl-4-keto-L-proline
  • (2S)-1-(tert-Butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid

Work with 1-(1,1-Dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate

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-(tert-Butoxycarbonyl)-4-oxopyrrolidine-2-carboxylic acid876317-19-0Stereo not defined

Similar compounds

(S)-4-Methylene-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester84348-38-975 % similar 1,2-Bis(1,1-dimethylethyl) (2S)-4-oxo-1,2-pyrrolidinedicarboxylate166410-05-569 % similar 1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-765 % similar Boc-D-azetidine-2-carboxylic acid228857-58-765 % similar 1-Boc-L-azetidine-2-carboxylic acid51077-14-665 % similar 1-tert-Butyl 2-methyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate102195-80-264 % similar (R)-1-tert-Butyl 2-methyl 4-oxopyrrolidine-1,2-dicarboxylate256487-77-164 % similar Boc-L-proline15761-39-462 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-Boc-5-oxopyrrolidine-2-carboxylic acid160347-90-0 (-)-3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine sesquihydrate41372-08-1 1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate53100-44-0

Elsewhere

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