3-(1,1-Dimethylethyl) (1α,5α,6α)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate

C₁₁H₁₇NO₄CAS 927679-54-7227.26 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₁H₁₇NO₄
Molar mass: 227.26 g/mol
Exact mass: 227.1158 Da
logP: 1.18Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: R, S, rin SMILES atom order

Identifiers

CAS number

927679-54-7

SMILES

CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@H]2C(=O)O

InChIKey

GYEQQDCMLKKYGG-JIGDXULJNA-N

InChI

InChI=1/C11H17NO4/c1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7+,8+

Weigh it out

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

Names and synonyms

1 names

3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid, 3-(1,1-dimethylethyl) ester, (1α,5α,6α)-

Work with 3-(1,1-Dimethylethyl) (1α,5α,6α)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate

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

1-Boc-azetidine-3-carboxylic acid142253-55-272 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate72925-16-761 % similar 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-360 % similar tert-Butyl 6-Oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate114214-49-257 % similar [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-656 % similar tert-Butyl 3-bromoazetidine-1-carboxylate1064194-10-055 % similar 1,1-Dimethylethyl 3-(1-hydroxy-1-methylethyl)-1-azetidinecarboxylate1257293-79-055 % similar 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate873924-12-055 % similar

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

Same formula

(1R,2S)-1-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-ethenylcyclopropanecarboxylic acid159622-10-3 N-Boc-3,4-dehydro-L-proline methyl ester74844-93-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook