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.

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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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