Leu-Gly

HCID 97364

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Basic information

CAS: 686-50-0
Standard SMILES: CC(C)C[C@H](N)C(=O)NCC(=O)O
InChIKey: LESXFEZIFXFIQR-LURJTMIESA-N
Molecular formula: C8H16N2O3
Average molar mass: 188.22 g/mol
Monoisotopic mass: 188.11609237

Overview

Leu-Gly is a dipeptide formed from L-leucine and glycine residues. It has a role as a metabolite. It is a tautomer of a Leu-Gly zwitterion.

Names & identifiers

Preferred name: Leu-Gly
IUPAC: 2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetic acid
English name: H-Leu-Gly-OH
Molecular formula: C8H16N2O3
Molecular weight: 188.22

Names & synonyms

Leu-GlyL-Leucyl-glycine2-[[(2S)-2-amino-4-methylpentanoyl]amino]acetic acidCHEBI:745342-(((2S)-2-amino-4-methylpentanoyl)amino)acetic acidRefChem:10884182-(((2S)-2-azaniumyl-4-methylpentanoyl)amino)acetate686-50-0H-Leu-Gly-OHL-Leucylglycine(S)-2-(2-Amino-4-methylpentanamido)acetic acidN-L-Leucylglycine

Show more names

LeucylglycineLeu-Gly-OHL-Leu-Gly-OHLeu-Gly【L9625】N-LeucylglycineLeu-Gly hydrate

Leucyl-GlycineMFCD00065940CHEMBL55711L-Leu-Glyleucyl glycineglycine, leucyl-EINECS 211-688-9H-Leu-Gly

Database identifiers

CAS: 686-50-0
PubChem CID: 97364
DTXSID: DTXSID101317011
ChEMBL: CHEMBL55711
ChEBI: CHEBI:74534
EC Number: 211-688-9
Nikkaji: J79.785E

Properties

Computed structural properties

XLogP: -2.3
Topological polar surface area: 92.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 192

Physicochemical properties

Melting point: 245 °C · ~245 °C (dec.)
Boiling point: 323.23 °C · 323.23°C (rough estimate)
Density: 1.1793 · 1.1793 (rough estimate)
refractive index: 86 ° · 86 ° (C=2, H2O)
storage temp.: -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
pka: 3.25 · 3.25(at 25℃)
form: powder to crystal
color: White to Almost white
optical activity: 84.9 ° · 84.9°(C=1.20 g/100ml H2O)
InChI: InChI=1S/C8H16N2O3/c1-5(2)3-6(9)8(13)10-4-7(11)12/h5-6H,3-4,9H2,1-2H3,(H,10,13)(H,11,12)/t6-/m0/s1
InChIKey: LESXFEZIFXFIQR-LURJTMIESA-N
SMILES: C(O)(=O)CNC(=O)[C@H](CC(C)C)N
CAS DataBase Reference: 686 · 686-50-0(CAS DataBase Reference)
UNSPSC Code: 12352209 · 12352209
NACRES: 26 · NA.26
Symbol(GHS): 7 · GHS07
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
F: 3 · 3-10
HS Code: 29241990 · 29241990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

F: 3-10
wgk: 3
hs_code: 29241990
Symbol(GHS): GHS07
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501