(R)-2-((tert-Butoxycarbonyl)(methyl)amino)-3-methylbutanoic acid

C₁₁H₂₁NO₄CAS 89536-85-6231.29 g/mol

Open in Covalent MOL file

Carbamate Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 3
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

89536-85-6

SMILES

CC(C)[C@H](C(=O)O)N(C)C(=O)OC(C)(C)C

InChIKey

XPUAXAVJMJDPDH-MRVPVSSYSA-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-/m1/s1

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

Names and synonyms

1 names

Boc-D-meval-oh

Work with (R)-2-((tert-Butoxycarbonyl)(methyl)amino)-3-methylbutanoic acid

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-valine45170-31-8Enantiomer

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

Elsewhere

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