chempirical

Boc-L-pyroglutaminol

C10H17NO4CAS 81658-25-5215.25 g/mol

Open in Covalent MOL file
OONOOH
AlcoholAmideCarbamateLactam

Properties

Molecular formula
C10H17NO4
Molar mass
215.25 g/mol
Exact mass
215.1158 Da
logP
0.90Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

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
81658-25-5
SMILES
CC(C)(C)OC(=O)N1[C@@H](CCC1=O)CO
InChIKey
NYYVBJAPYGKIEN-ZETCQYMHSA-N
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7(6-12)4-5-8(11)13/h7,12H,4-6H2,1-3H3/t7-/m0/s1

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Names and synonyms

1 names
  • tert-Butyl (2S)-2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate

Work with Boc-L-pyroglutaminol

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

(R)-Boc-5-oxopyrrolidine-2-carboxylic acid160347-90-060 % similar 1-(1,1-Dimethylethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate53100-44-060 % similar Di-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate91229-91-360 % similar tert-Butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate161511-85-959 % similar tert-Butyl 2-(hydroxymethyl)azetidine-1-carboxylate174346-82-859 % similar tert-Butyl 2-(hydroxymethyl)pyrrolidine-1-carboxylate170491-63-156 % similar (S)-(-)-1-Boc-2-pyrrolidinemethanol69610-40-856 % similar N-(tert-Butoxycarbonyl)-D-prolinol83435-58-956 % 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-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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