chempirical

Boc-N-methyl-D-alanine

C9H17NO4CAS 19914-38-6203.24 g/mol

Open in Covalent MOL file
OHONOO
CarbamateCarboxylic acid

Properties

Molecular formula
C9H17NO4
Molar mass
203.24 g/mol
Exact mass
203.1158 Da
logP
1.33Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
19914-38-6
SMILES
C[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChIKey
VLHQXRIIQSTJCQ-ZCFIWIBFSA-N
InChI
InChI=1S/C9H17NO4/c1-6(7(11)12)10(5)8(13)14-9(2,3)4/h6H,1-5H3,(H,11,12)/t6-/m1/s1

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Names and synonyms

1 names
  • N-(tert-Butoxycarbonyl)-N-methyl-D-alanine

Work with Boc-N-methyl-D-alanine

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-N-me-ser-oh101772-29-663 % similar 1-Boc-azetidine-3-carboxylic acid142253-55-253 % similar 1,1-Dimethylethyl N-methyl-N-(4-oxocyclohexyl)carbamate400899-84-551 % similar Boc-L-proline15761-39-451 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-N-methyl-L-tyrosine66638-37-751 % similar (1R,5S,6r)-3-(tert-Butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid1401464-07-050 % similar 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid174316-71-350 % similar 3-(1,1-Dimethylethyl) (1α,5α,6α)-3-azabicyclo[3.1.0]hexane-3,6-dicarboxylate927679-54-750 % 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 (S)-3-(Boc-amino)-2-methylpropionic acid190897-47-3

Elsewhere

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