(R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid

C₁₂H₂₃NO₄CAS 112695-98-4245.32 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₂H₂₃NO₄
Molar mass: 245.32 g/mol
Exact mass: 245.1627 Da
logP: 2.40Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

112695-98-4

SMILES

CC(C)(C)C[C@H](C(=O)O)NC(=O)OC(C)(C)C

InChIKey

PUQVQDMFCAGQQB-MRVPVSSYSA-N

InChI

InChI=1S/C12H23NO4/c1-11(2,3)7-8(9(14)15)13-10(16)17-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)/t8-/m1/s1

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

Names and synonyms

1 names

Boc-beta-tbu-D-ala-oh

Work with (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic 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-glu(otbu)-oh104719-63-364 % similar Boc-beta-cyclohexyl-D-alanine monohydrate127095-92-563 % similar Boc-D-lys-oh106719-44-261 % similar Boc-L-homophenylalanine100564-78-159 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-259 % similar Boc-D-alpha-T-butylglycine124655-17-057 % similar Boc-L-cyclopentylglycine109183-72-456 % similar Boc-D-4,4'-biphenylalanine128779-47-555 % similar

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

Same formula

Boc-L-beta-homoleucine132549-43-0

Elsewhere

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