1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid hydrochloride

• ChemBase ID: 104241
• Molecular Formular: C11H21ClN2O3
• Molecular Mass: 264.74904
• Monoisotopic Mass: 264.12407022
• SMILES: Cl.CC(C)CC(N)C(=O)N1CCCC1C(=O)O
• Canonical SMILES: CC(CC(C(=O)N1CCCC1C(=O)O)N)C.Cl
• InChI: InChI=1S/C11H20N2O3.ClH/c1-7(2)6-8(12)10(14)13-5-3-4-9(13)11(15)16;/h7-9H,3-6,12H2,1-2H3,(H,15,16);1H
• InChIKey: GZEPUBCBTCSTKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carboxylic acid hydrochloride
• IUPAC Traditional name: leu-pro hydrochloride
• Synonyms: LEU-PRO; Leu-Pro hydrochloride

Database IDs

• CAS Number: 87178-63-0
• MDL Number: MFCD00039011
• PubChem SID: 24896503; 162091024
• PubChem CID: 16219595

CALCULATED PROPERTIES

• Acid pKa: 3.9154751
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8583293
• LogD (pH = 7.4): -1.885646
• Log P: -1.8530816
• Molar Refractivity: 59.1574 cm^3
• Polarizability: 23.549238 Å^3
• Polar Surface Area: 83.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

DETAILS

MP Biomedicals - 02155220

Hydrochloride Crystalline