N-Methylleucine

HCID 2777993

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 3060-46-6
Standard SMILES: CN[C@@H](CC(C)C)C(=O)O
InChIKey: XJODGRWDFZVTKW-LURJTMIESA-N
Molecular formula: C7H15NO2
Average molar mass: 145.2 g/mol
Monoisotopic mass: 145.11027872

Names & identifiers

Preferred name: N-Methylleucine
IUPAC: (2S)-4-methyl-2-(methylamino)pentanoic acid
English name: N-Methyl-L-leucine
Molecular formula: C7H15NO2
Molecular weight: 145.2

Names & synonyms

3060-46-6L-Leucine, N-methyl-N-MethylleucineMeLeu2YT9687ECDCHEBI:43983RefChem:830734(2R)-4-methyl-2-(methylamino)pentanoic acidN-Methyl-L-leucine(S)-4-Methyl-2-(methylamino)pentanoic acidmethyl-L-leucineN-Me-Leu-OH

Show more names

N-Me-LeuN-Me-L-LeuN-ME-LEUCINEH-(ME)LEU-OH(S)-4-MethyLN-Me-L-Leu-OHN-Methyl-L<N-Me-L-Leu-OH·HClL-N-Methylleucine

(2S)-4-methyl-2-(methylamino)pentanoic acidN-methyl-l-leuMFCD00065919(2S)-4-methyl-2-(methylazaniumyl)pentanoateUNII-2YT9687ECDSCHEMBL93452HY-W008140FD21865

Database identifiers

CAS: 3060-46-6、31321-74-1
PubChem CID: 2777993
DTXSID: DTXSID801031240
UNII: 2YT9687ECD
Nikkaji: J943.977C

Properties

Computed structural properties

XLogP: -1.2
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 112

Physicochemical properties

Melting point: 300 °C · 300 °C
Boiling point: 226.1 · 226.1±23.0 °C(Predicted)
Density: 0.979 · 0.979±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
pka: 2.48 · 2.48±0.21(Predicted)
FDA UNII: 2 YT9687ECD · 2YT9687ECD
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
WGK Germany: 3 · 3