Boc-leu-ome

C₁₂H₂₃NO₄CAS 63096-02-6245.32 g/mol

Open in Covalent MOL file

Carbamate Ester

Properties

Molecular formula: C₁₂H₂₃NO₄
Molar mass: 245.32 g/mol
Exact mass: 245.1627 Da
logP: 2.10Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4
Stereocentres: 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

63096-02-6

SMILES

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

InChIKey

QSEVMIMUBKMNOU-VIFPVBQESA-N

InChI

InChI=1S/C12H23NO4/c1-8(2)7-9(10(14)16-6)13-11(15)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,13,15)/t9-/m0/s1

Weigh it out

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

Names and synonyms

1 names

N-(tert-Butoxycarbonyl)-L-leucine methyl ester

Work with Boc-leu-ome

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-3-iodo-D-alanine methyl ester170848-34-768 % similar Boc-L-serine methyl ester2766-43-068 % similar Methyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoate93267-04-068 % similar Boc-D-ser-ome95715-85-868 % similar Methyl (S)-2-(boc-amino)-3-[(S)-2-oxo-3-pyrrolidinyl]propanoate328086-60-864 % similar Boc-val-ome58561-04-963 % similar Boc-L-alanine methyl ester28875-17-463 % similar Boc-D-alanine methyl ester91103-47-863 % 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-isoleucine52498-32-5 Boc-N-methyl-L-leucine53363-89-6 7-(((tert-Butoxy)carbonyl)amino)heptanoic acid60142-89-4 Di-tert-butyl iminodiacetate85916-13-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook