Boc-N-methyl-D-alanine

C9H17NO4CAS 19914-38-6203.24 g/mol

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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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Boc-N-methyl-L-alanine16948-16-6Enantiomer

Similar compounds

Boc-N-methyl-L-valine45170-31-870 % similar (R)-2-((tert-Butoxycarbonyl)(methyl)amino)-3-methylbutanoic acid89536-85-670 % similar Boc-N-methyl-L-leucine53363-89-663 % similar Boc-N-me-ser-oh101772-29-663 % similar Boc-N-methyl-L-isoleucine52498-32-562 % similar Boc-N-methyl-L-phenylalanine37553-65-454 % similar N-Boc-N-methyl-D-phenylalanine85466-66-654 % similar Boc-MeTyr-OH82038-34-453 % 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 Acetyl-DL-carnitine14992-62-2 (3S)-3-(((tert-Butoxy)carbonyl)amino)butanoic acid158851-30-0 (R)-3-((tert-Butoxycarbonyl)amino)butanoic acid159991-23-8 (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-6

Elsewhere

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