chempirical

Boc-N-methyl-L-valine

C11H21NO4CAS 45170-31-8231.29 g/mol

Open in Covalent MOL file
OHONOO
CarbamateCarboxylic acid

Properties

Molecular formula
C11H21NO4
Molar mass
231.29 g/mol
Exact mass
231.1471 Da
logP
1.96Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
Stereocentres
Sin 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
45170-31-8
SMILES
CC(C)[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChIKey
XPUAXAVJMJDPDH-QMMMGPOBSA-N
InChI
InChI=1S/C11H21NO4/c1-7(2)8(9(13)14)12(6)10(15)16-11(3,4)5/h7-8H,1-6H3,(H,13,14)/t8-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Boc-N-methyl-L-valine

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.

(R)-2-((tert-Butoxycarbonyl)(methyl)amino)-3-methylbutanoic acid89536-85-6Enantiomer

Similar compounds

Boc-N-methyl-L-isoleucine52498-32-573 % similar Boc-N-methyl-L-alanine16948-16-670 % similar Boc-N-methyl-D-alanine19914-38-670 % similar Boc-N-methyl-L-leucine53363-89-662 % similar Boc-N-me-ser-oh101772-29-661 % similar Boc-N-methyl-L-phenylalanine37553-65-453 % similar N-Methyl-N-[(phenylmethoxy)carbonyl]-L-valine42417-65-253 % similar N-Boc-N-methyl-D-phenylalanine85466-66-653 % similar

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

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]glycine 1,1-dimethylethyl ester111652-20-1 Boc-D-alpha-T-butylglycine124655-17-0 Boc-L-leucine13139-15-6 tert-Butoxycarbonyl-L-isoleucine13139-16-7 tert-Butoxycarbonyl-D-leucine16937-99-8 Boc-L-beta-homovaline183990-64-9 N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-0 Boc-D-isoleucine55721-65-8

Elsewhere

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