(+)-L-Leucine methyl ester

HCID 65105CAS 2666-93-5

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Basic information

Standard SMILES: COC(=O)[C@@H](N)CC(C)C
InChIKey: QVDXUKJJGUSGLS-LURJTMIESA-N
Molecular formula: C7H15NO2
Average molar mass: 145.2 g/mol
Monoisotopic mass: 145.11027872

Overview

Methyl L-leucinate is the methyl ester of L-leucine. It is a L-leucine derivative, a methyl ester and an alpha-amino acid ester.

Names & identifiers

Preferred name: (+)-L-Leucine methyl ester
IUPAC: methyl (2S)-2-amino-4-methylpentanoate
English name: methyl L-leucinate
Molecular formula: C7H15NO2
Molecular weight: 145.2

Names & synonyms

Methyl L-leucinate2666-93-5Leucine methyl esterL-Leucine, methyl estermethyl (2S)-2-amino-4-methylpentanoate(+)-L-Leucine methyl esterG3M3TO108YCHEBI:44075DTXSID30883883methyl leucineleucine-o-methyl esterRefChem:157914

Show more names

(S)-Leu-OMeLeucine methylL-Leucine methylL-METHYL-LEUCINE(S)-2-Amino-4-methylvaleric acid methyl ester(2S)-2-Amino-4-methylpentanoic acid methyl ester

DTXCID501023365220-205-0(S)-Methyl 2-amino-4-methylpentanoateL-leucine methyl ester(S)-2-Amino-4-methyl-pentanoic acid methyl ester(S)-leucine methyl ester(S)-2-AMINO-4-METHYLPENTANOIC ACID METHYL ESTERLeucine, methyl ester, L-

Database identifiers

CAS: 2666-93-5
PubChem CID: 65105
DTXSID: DTXSID30883883
ChEMBL: CHEMBL1229070
ChEBI: CHEBI:44075
UNII: G3M3TO108Y
EC Number: 220-205-0
Nikkaji: J101.393I

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 112

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Boiling point: 79 · 79-79.5 °C(Press: 2 Torr)
Density: 0.9533 g/cm3 · 0.9533 g/cm3(Temp: 17 °C)
storage temp.: 2 · 2-8°C(protect from light)
pka: 7.95 · 7.95±0.42(Predicted)
FDA UNII: 3 M3TO108Y · G3M3TO108Y
EPA Substance Registry System: L-Leucine, methyl ester (2666-93-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
TSCA: TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: L-Leucine, methyl ester

Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia

Hazard Classes and CategoriesSkin Sens. 1 (100%)

Safety data

tsca: TSCA listed
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationL-Leucine, methyl ester: INACTIVE

Applications

UsesMethyl L-leucinate, methyl ester of L-leucine, is an alpha-amino acid ester. Methyl L-leucinate is a derivative of methyl ester and L-leucine, a class of compounds containing both amino and carboxyl groups in the molecule[1].