chempirical

(4R)-4-(1,1-Dimethylethoxy)-L-proline

C9H17NO3CAS 79775-07-8187.24 g/mol

Open in Covalent MOL file
ONHOOH
Carboxylic acidEtherSecondary amine

Properties

Molecular formula
C9H17NO3
Molar mass
187.24 g/mol
Exact mass
187.1208 Da
Melting point
204–206 °C
logP
0.62Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
79775-07-8
SMILES
CC(C)(C)O[C@H]1CN[C@H](C(=O)O)C1
InChIKey
XTQZONYRNXFGCY-RQJHMYQMSA-N
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-6-4-7(8(11)12)10-5-6/h6-7,10H,4-5H2,1-3H3,(H,11,12)/t6-,7+/m1/s1

Weigh it out

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

Names and synonyms

4 names
  • L-Proline, 4-(1,1-dimethylethoxy)-, (4R)-
  • L-Proline, 4-(1,1-dimethylethoxy)-, trans-
  • trans-4-tert-Butoxy-L-proline
  • (2S,4R)-4-tert-Butoxypyrrolidine-2-carboxylic acid

Work with (4R)-4-(1,1-Dimethylethoxy)-L-proline

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

cis-4-Hydroxy-D-proline2584-71-650 % similar Hydroxyproline51-35-450 % similar cis-4-Hydroxy-L-proline618-27-950 % similar (4R)-4-Fluoro-L-proline2507-61-147 % similar (4S)-4-Cyclohexyl-L-proline103201-78-144 % similar Boc-D-glu(otbu)-oh104719-63-343 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-442 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-542 % similar

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

Same formula

(S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-5 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-9 tert-Butyl N-(1-(hydroxymethyl)cyclopropyl)carbamate107017-73-2 tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-0 3-Hydroxy-3-methyl-azetidine-1-carboxylic acid tert-butyl ester1104083-23-9 3-(Carbamoylmethyl)-5-methylhexanoic acid181289-15-6 (R)-3-(Carbamoylmethyl)-5-methylhexanoic acid181289-33-8

Elsewhere

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