Boc-N-methyl-L-isoleucine

C₁₂H₂₃NO₄CAS 52498-32-5245.32 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid

Properties

Molecular formula: C₁₂H₂₃NO₄
Molar mass: 245.32 g/mol
Exact mass: 245.1627 Da
logP: 2.35Crippen estimate
Polar surface area: 66.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4
Stereocentres: S, Sin SMILES atom order

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

52498-32-5

SMILES

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

InChIKey

HTBIAUMDQYXOFG-IUCAKERBSA-N

InChI

InChI=1S/C12H23NO4/c1-7-8(2)9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t8-,9-/m0/s1

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Names and synonyms

1 names

N-Alpha-t-Butyloxycarbonyl-N-alpha-methyl-L-isoleucine

Work with Boc-N-methyl-L-isoleucine

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

Similar compounds

Boc-N-methyl-L-valine45170-31-873 % similar (R)-2-((tert-Butoxycarbonyl)(methyl)amino)-3-methylbutanoic acid89536-85-673 % similar Boc-N-methyl-L-alanine16948-16-662 % similar Boc-N-methyl-D-alanine19914-38-662 % similar Boc-N-me-ser-oh101772-29-658 % similar Fmoc-N-methyl-L-isoleucine138775-22-153 % similar tert-Butoxycarbonyl-L-isoleucine13139-16-752 % similar Boc-D-isoleucine55721-65-852 % similar

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

Same formula

(R)-2-((tert-Butoxycarbonyl)amino)-4,4-dimethylpentanoic acid112695-98-4 Boc-L-beta-homoleucine132549-43-0 (3R,4S)-3-(((tert-Butoxy)carbonyl)amino)-4-methylhexanoic acid218608-82-3 Boc-N-methyl-L-leucine53363-89-6 7-(((tert-Butoxy)carbonyl)amino)heptanoic acid60142-89-4 Boc-leu-ome63096-02-6 Di-tert-butyl iminodiacetate85916-13-8

Elsewhere

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