chempirical

(3R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid

C10H17NO4CAS 72925-16-7215.25 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
Melting point
139–141 °C
logP
1.33Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Hazards

Warning
Environmental Hazard (GHS09)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
72925-16-7
SMILES
CC(C)(C)OC(=O)N1CC[C@@H](C(=O)O)C1
InChIKey
HRMRQBJUFWFQLX-SSDOTTSWSA-N
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • 1-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate
  • 1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3R)-
  • 1,3-Pyrrolidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (R)-
  • (3R)-1-(tert-Butoxycarbonyl)-3-pyrrolidinecarboxylic acid
  • (R)-1-(tert-Butoxycarbonyl)pyrrolidine-3-carboxylic acid
  • (3R)-1-[[(1,1-Dimethylethyl)oxy]carbonyl]-3-pyrrolidinecarboxylic acid
  • (3R)-1-[(2-Methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
  • (3R)-1-tert-Butoxycarbonylpyrrolidine-3-carboxylic acid
  • (R)-1-Boc-pyrrolidine-3-carboxylic Acid

Work with (3R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-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.

(3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid140148-70-5Enantiomer 1-((tert-Butoxy)carbonyl)pyrrolidine-3-carboxylic acid59378-75-5Stereo not defined

Similar compounds

1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-386 % similar 1-((tert-Butoxy)carbonyl)piperidine-3-carboxylic acid71381-75-486 % similar 1-Boc-3-piperidinecarboxylic acid84358-12-386 % similar L-1-Boc-nipecotic acid88495-54-986 % similar 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid174316-71-383 % similar N-Boc-piperidine-4-carboxylic acid84358-13-483 % similar 1-Boc-Azetidine-3-carboxylic acid142253-55-278 % similar 4-Boc-2-morpholinecarboxylic acid189321-66-267 % 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 (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-9 Boc-L-proline15761-39-4 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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