chempirical

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

C9H17NO4CAS 190897-47-3203.24 g/mol

Open in Covalent MOL file
NHOOOHO
CarbamateCarboxylic 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 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
190897-47-3
SMILES
C[C@@H](CNC(=O)OC(C)(C)C)C(=O)O
InChIKey
GDQRNRYMFXDGMS-LURJTMIESA-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-/m0/s1

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Names and synonyms

1 names
  • (2S)-3-(((tert-Butoxy)carbonyl)amino)-2-methylpropanoic acid

Work with (S)-3-(Boc-amino)-2-methylpropionic 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

(1r,4r)-4-((((tert-Butoxy)carbonyl)amino)methyl)cyclohexane-1-carboxylic acid162046-58-463 % similar 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 (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-952 % similar (R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-451 % similar Boc-L-aspartic acid 4-tert-butyl ester1676-90-051 % similar Boc-L-cyclopentylglycine109183-72-450 % similar

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

Same formula

(R)-3-((tert-Butoxycarbonyl)amino)-2-methylpropanoic acid132696-45-8 tert-Butoxycarbonylamino-acetic acid ethyl ester14719-37-0 Boc-N-ethyl glycine149794-10-5 (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-0 (3R)-3-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid159991-23-8 Boc-N-methyl-L-alanine16948-16-6 (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-6 Boc-N-methyl-D-alanine19914-38-6

Elsewhere

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