(R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid

C₉H₁₇NO₄CAS 132696-45-8203.24 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₉H₁₇NO₄
Molar mass: 203.24 g/mol
Exact mass: 203.1158 Da
logP: 1.23Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3
Stereocentres: Rin SMILES atom order

Identifiers

CAS number

132696-45-8

SMILES

C[C@H](CNC(=O)OC(C)(C)C)C(=O)O

InChIKey

GDQRNRYMFXDGMS-ZCFIWIBFSA-N

InChI

InChI=1S/C9H17NO4/c1-6(7(11)12)5-10-8(13)14-9(2,3)4/h6H,5H2,1-4H3,(H,10,13)(H,11,12)/t6-/m1/s1

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Names and synonyms

1 names

(R)-3-(Boc-amino)-2-methylpropionic acid

Work with (R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic 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

N-Boc-(R)-1-amino-2-propanol119768-44-461 % similar Boc-D-alpha-T-butylglycine124655-17-055 % similar (1r,3r)-3-(((tert-Butoxy)carbonyl)amino)cyclobutane-1-carboxylic acid1008773-79-252 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-451 % similar Boc-L-cyclopentylglycine109183-72-450 % similar N-Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid102507-13-149 % similar Boc-D-glu(otbu)-oh104719-63-348 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-847 % similar

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

Same formula

(3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid159991-23-8 5-(1,1-Dimethylethyl) hydrogen L-glutamate2419-56-9 N-[(1,1-Dimethylethoxy)carbonyl]-2-methylalanine30992-29-1 (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-8 1-(1,1-Dimethylethyl) hydrogen L-glutamate45120-30-7

Elsewhere

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