(2S)-N-(carbamoylmethyl)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamide

• ChemBase ID: 119708
• Molecular Formular: C13H24N4O3
• Molecular Mass: 284.35466
• Monoisotopic Mass: 284.18484065
• SMILES: C(=O)(N[C@H](C(=O)NCC(=O)N)CC(C)C)[C@H]1NCCC1
• Canonical SMILES: CC(C[C@@H](C(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1)C
• InChI: InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1
• InChIKey: NOOJLZTTWSNHOX-UWVGGRQHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-N-(carbamoylmethyl)-4-methyl-2-[(2S)-pyrrolidin-2-ylformamido]pentanamide
• IUPAC Traditional name: melanocyte-inhibiting factor
• Synonyms: (S)-N-((S)-1-((2-amino-2-oxoethyl)amino)-4-methyl-1-oxopentan-2-yl)pyrrolidine-2-carboxamide; L-propyl-L-leucyl-glycinamide; Melanocyte-inhibiting factor

Database IDs

• CAS Number: 2002-44-0
• PubChem SID: 162102867
• PubChem CID: 92910; 3896043
• Wikipedia Title: Melanocyte-inhibiting_factor
• Medline Plus: a605038

CALCULATED PROPERTIES

• LogD (pH = 7.4): -3.3704116
• Log P: -1.2917761
• Molar Refractivity: 73.661 cm^3
• Polarizability: 29.154572 Å^3
• Polar Surface Area: 113.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 12.461859
• H Acceptors: 4
• H Donor: 4
• LogD (pH = 5.5): -4.4648213

PROPERTIES

Pharmacology Properties

• Admin Routes: IV
• Bioavailability: 100% (injected)
• Excretion: N/A
• Metabolism: plasma protease enzymes

Product Information

• Classification: Derivatives & analogs of Natural Compounds