(1R,2S)-1-(((1,1-Dimethylethoxy)carbonyl)amino)-2-ethenylcyclopropanecarboxylic acid

C11H17NO4CAS 159622-10-3227.26 g/mol

Open in Covalent MOL file
HNOOOOH
AlkeneCarboxylic acid

Properties

Molecular formula
C11H17NO4
Molar mass
227.26 g/mol
Exact mass
227.1158 Da
logP
1.74Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
S, Rin 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
159622-10-3
SMILES
C=C[C@@H]1C[C@]1(N=C(O)OC(C)(C)C)C(=O)O
InChIKey
RFAQWADNTLIWMG-RDDDGLTNSA-N
InChI
InChI=1S/C11H17NO4/c1-5-7-6-11(7,8(13)14)12-9(15)16-10(2,3)4/h5,7H,1,6H2,2-4H3,(H,12,15)(H,13,14)/t7-,11-/m1/s1

Weigh it out

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

Names and synonyms

5 names
  • (1R,2S)-1-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid
  • Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R,2S)-
  • Cyclopropanecarboxylic acid, 1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenyl-, (1R-trans)-
  • (1R,2S)-1-[(tert-Butoxycarbonyl)amino]-2-vinylcyclopropanecarboxylic acid
  • (1R,2S)-1-[(tert-Butoxycarbonyl)amino]-2-ethenylcyclopropanecarboxylic acid

Work with (1R,2S)-1-(((1,1-Dimethylethoxy)carbonyl)amino)-2-ethenylcyclopropanecarboxylic 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

Similar compounds

Ethyl (1R,2S)-1-[[(1,1-dimethylethoxy)carbonyl]amino]-2-ethenylcyclopropanecarboxylate259217-95-369 % similar 1-[(tert-Butoxycarbonyl)amino]cyclopropanecarboxylic acid88950-64-552 % similar N-((1,1-Dimethylethoxy)carbonyl)-2-methyl-alanine30992-29-151 % similar 1-tert-Butoxycarbonylaminocyclopentanecarboxylic acid35264-09-650 % similar N-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-L-serine84311-19-349 % similar 4-[[(1,1-Dimethylethoxy)carbonyl]amino]tetrahydro-2H-pyran-4-carboxylic acid172843-97-948 % similar 1,1-Dimethylethyl N-(4-methyl-4-piperidinyl)carbamate163271-08-740 % similar N-[(1,1-Dimethylethoxy)carbonyl]glycine 1,1-dimethylethyl ester111652-20-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(1R,5S,6r)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid1401464-07-0 (1S,4R)-(-)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid151907-79-8 (+)-(1R,4S)-N-Boc-4-aminocyclopent-2-enecarboxylic acid151907-80-1 N-Boc-L-trans-4,5-methanoproline197142-34-0 (1R,4R)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-cyclopentene-1-carboxylic acid298716-03-7 N-Boc-3,4-dehydro-L-proline methyl ester74844-93-2 (S)-4-Methylene-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester84348-38-9 3-(1,1-Dimethylethyl) (1α,5α,6α)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate927679-54-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook