L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-

HCID 83170CAS 13139-15-6

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Basic information

Standard SMILES: CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIKey: MDXGYYOJGPFFJL-QMMMGPOBSA-N
Molecular formula: C11H21NO4
Average molar mass: 231.29 g/mol
Monoisotopic mass: 231.14705815

Overview

N(alpha)-t-butoxycarbonyl-L-leucine is a L-leucine derivative obtained by the substitution of a t-butoxycarbonyl group on the nitrogen atom. It is a carbamate ester and a L-leucine derivative.

Names & identifiers

Preferred name: L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-
IUPAC: (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Names & synonyms

tert-Butoxycarbonyl-L-leucineN-tert-ButoxycarbonylleucineN-tert-Butyloxycarbonyl-L-leucinetert-Butyloxycarbonyl-L-leucinetert-ButyloxycarbonylleucineNSC 108690L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-N-((1,1-Dimethylethoxy)carbonyl)-L-leucineN-[(1,1-Dimethylethoxy)carbonyl]-L-leucineLeucine, N-carboxy-, N-tert-butyl ester, L-EINECS 236-073-2Boc-Leu-OH monohydrate

Show more names

DTXSID80884507L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-RefChem:796793DTXCID901023943Leucine, N-carboxy-, N-tert-butyl ester, L-(8CI)236-073-213139-15-6Boc-L-leucine

Database identifiers

CAS: 13139-15-6
PubChem CID: 83170
DTXSID: DTXSID80884507
ChEMBL: CHEMBL1222009
ChEBI: CHEBI:28702
EC Number: 236-073-2
Nikkaji: J184.523C

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 16
Formal charge: 0
Complexity: 255

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.

Warning

H315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.