(S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid

C10H17NO4CAS 155976-13-9215.25 g/mol

Open in Covalent MOL file
OONHOOH
CarbamateCarboxylic acid

Properties

Molecular formula
C10H17NO4
Molar mass
215.25 g/mol
Exact mass
215.1158 Da
logP
1.37Crippen estimate
Polar surface area
75.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
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
155976-13-9
SMILES
CC(C)(C)OC(=O)N[C@@H](C1CC1)C(=O)O
InChIKey
QFVJNEASAAJIDF-ZETCQYMHSA-N
InChI
InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7(8(12)13)6-4-5-6/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)/t7-/m0/s1

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Names and synonyms

1 names
  • Boc-L-cyclopropylglycine

Work with (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic 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-D-cyclopropylglycine609768-49-2Enantiomer

Similar compounds

Boc-L-cyclopentylglycine109183-72-489 % similar Boc-alpha-cyclohexyl-D-glycine70491-05-386 % similar Boc-D-valine22838-58-070 % similar Boc-dl-valine54895-12-470 % similar Boc-D-isoleucine55721-65-866 % similar Boc-D-thr(tbu)-oh201217-86-965 % similar (2S)-2-(((tert-Butoxy)carbonyl)amino)pentanoic acid53308-95-563 % similar Boc-D-nva-oh57521-85-463 % 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 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 (2R)-1-[(tert-Butoxy)carbonyl]pyrrolidine-2-carboxylic acid37784-17-1

Elsewhere

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