(3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-carboxylic acid

C₁₀H₁₇NO₄CAS 140148-70-5215.25 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: 1.33Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

140148-70-5

SMILES

CC(C)(C)OC(=O)N1CC[C@@H](C1)C(=O)O

InChIKey

HRMRQBJUFWFQLX-ZETCQYMHSA-N

InChI

InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-4-7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1

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Names and synonyms

1 names

(3S)-1-(tert-Butoxycarbonyl)-3-pyrrolidinecarboxylic acid

Work with (3S)-1-[(tert-Butoxy)carbonyl]pyrrolidine-3-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

1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate163438-09-386 % similar 1-Boc-azetidine-3-carboxylic acid142253-55-278 % similar tert-Butyl 3-carbamoylpyrrolidine-1-carboxylate122684-34-866 % similar 1-tert-Butyl 3-methyl pyrrolidine-1,3-dicarboxylate122684-33-764 % similar 7-(1,1-Dimethylethyl) 7-azaspiro[3.5]nonane-2,7-dicarboxylate873924-12-063 % similar (S)-3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester101469-92-563 % similar 3-Hydroxypyrrolidine-1-carboxylic acid tert-butyl ester103057-44-963 % similar tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate109431-87-063 % 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 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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