chempirical

Methyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoate

C9H16INO4CAS 93267-04-0329.13 g/mol

Open in Covalent MOL file
OONHIOO
Alkyl halideCarbamateEster

Properties

Molecular formula
C9H16INO4
Molar mass
329.13 g/mol
Exact mass
329.0124 Da
logP
1.49Crippen estimate
Polar surface area
64.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

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

Identifiers

CAS number
93267-04-0
SMILES
CC(C)(C)OC(=O)N[C@@H](CI)C(=O)OC
InChIKey
UGZBFCCHLUWCQI-LURJTMIESA-N
InChI
InChI=1S/C9H16INO4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5H2,1-4H3,(H,11,13)/t6-/m0/s1

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Names and synonyms

1 names
  • Boc-beta-iodo-ala-ome

Work with Methyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoate

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-3-iodo-D-alanine methyl ester170848-34-7Enantiomer

Similar compounds

Boc-L-serine methyl ester2766-43-070 % similar Boc-D-ser-ome95715-85-870 % similar Boc-leu-ome63096-02-668 % similar Methyl cis-3-(boc-amino)C...142733-63-963 % similar (4S)-4-(((tert-Butoxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid72086-72-762 % similar Methyl cis-4-(boc-amino)cyclohexanecarboxylate146307-51-962 % similar Boc-val-ome58561-04-961 % similar Boc-phe-ome51987-73-661 % similar

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

Elsewhere

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