chempirical

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

C10H17NO4CAS 59433-50-0215.25 g/mol

Open in Covalent MOL file
OONOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C10H17NO4
Molar mass
215.25 g/mol
Exact mass
215.1158 Da
logP
1.47Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
59433-50-0
SMILES
CC(C)(C)OC(=O)N1CCCC1C(=O)O
InChIKey
ZQEBQGAAWMOMAI-UHFFFAOYSA-N
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-6-4-5-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)

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Names and synonyms

1 names
  • Boc-dl-pro-oh

Work with 1-[(tert-Butoxy)carbonyl]pyrrolidine-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.

Boc-L-proline15761-39-4Defined stereoisomer (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-1Defined stereoisomer

Similar compounds

1-[(tert-Butoxy)carbonyl]piperidine-2-carboxylic acid118552-55-992 % similar (2S)-1-((tert-Butoxy)carbonyl)piperidine-2-carboxylic acid26250-84-092 % similar (R)-(+)-N-Boc-2-piperidinecarboxylic acid28697-17-892 % similar 1-[(tert-Butoxy)carbonyl]azetidine-2-carboxylic acid159749-28-783 % similar Boc-D-azetidine-2-carboxylic acid228857-58-783 % similar 1-Boc-L-azetidine-2-carboxylic acid51077-14-683 % similar 1,1-Dimethylethyl (2S)-2-(aminocarbonyl)-1-pyrrolidinecarboxylate35150-07-371 % similar (S)-Tetrahydropyridazine-1,2,3-tricarboxylic acid 1,2-di-tert-butyl ester156699-39-769 % similar

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

Same formula

(1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-2 N-Boc-1-aminocyclobutanecarboxylic acid120728-10-1 (3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid140148-70-5 (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-9 Boc-D-allylglycine170899-08-8 [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-6 Azetidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester255882-72-5

Elsewhere

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