Boc-D-alanine methyl ester

C9H17NO4CAS 91103-47-8203.24 g/mol

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OONHOO
CarbamateEster

Properties

Molecular formula
C9H17NO4
Molar mass
203.24 g/mol
Exact mass
203.1158 Da
logP
1.07Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
1 / 4
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
91103-47-8
SMILES
C[C@H](C(=O)OC)NC(=O)OC(C)(C)C
InChIKey
GJDICGOCZGRDFM-ZCFIWIBFSA-N
InChI
InChI=1S/C9H17NO4/c1-6(7(11)13-5)10-8(12)14-9(2,3)4/h6H,1-5H3,(H,10,12)/t6-/m1/s1

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Names and synonyms

1 names
  • Boc-D-ala-ome

Work with Boc-D-alanine methyl ester

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-L-alanine methyl ester28875-17-4Enantiomer

Similar compounds

Boc-val-ome58561-04-968 % similar Boc-leu-ome63096-02-663 % similar Methyl N-(tert-butoxycarbonyl)-L-threoninate79479-07-563 % similar Methyl cis-3-(boc-amino)C...142733-63-962 % similar Methyl cis-4-(boc-amino)cyclohexanecarboxylate146307-51-960 % similar Boc-3-iodo-D-alanine methyl ester170848-34-760 % similar Boc-L-serine methyl ester2766-43-060 % similar Methyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoate93267-04-060 % 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 Boc-N-methyl-L-alanine16948-16-6 (3R,4S)-tert-Butyl 3,4-dihydroxypyrrolidine-1-carboxylate186393-22-6

Elsewhere

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