(1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid

C₁₀H₁₇NO₄CAS 1008773-79-2215.25 g/mol

Open in Covalent MOL file

Carbamate Carboxylic 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 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Identifiers

CAS number

1008773-79-2

SMILES

CC(C)(C)OC(=O)NC1CC(C1)C(=O)O

InChIKey

KLCYDBAYYYVNFM-UHFFFAOYSA-N

InChI

InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-7-4-6(5-7)8(12)13/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)

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Names and synonyms

1 names

cis-3-Boc-aminocyclobutanecarboxylic acid

Work with (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic 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

Boc-D-alpha-T-butylglycine124655-17-059 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-459 % similar Boc-L-cyclopentylglycine109183-72-457 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-557 % similar N-Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid102507-13-156 % similar Boc-trans-4-aminocyclohexanol111300-06-255 % similar Boc-D-leucinol106930-51-255 % similar Boc-D-glu(otbu)-oh104719-63-355 % similar

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

Same formula

N-Boc-1-aminocyclobutanecarboxylic acid120728-10-1 Boc-L-proline15761-39-4 [1-(tert-Butoxycarbonyl)azetidin-3-yl]acetic acid183062-96-6 1-tert-Butyl 3-methyl azetidine-1,3-dicarboxylate610791-05-4 2-[[(Butylamino)carbonyl]oxy]ethyl 2-propenoate63225-53-6 1-(1,1-Dimethylethyl) (3R)-1,3-pyrrolidinedicarboxylate72925-16-7

Elsewhere

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