(2S)-2-amino-5-carbamimidamidopentanoic acid; (2S)-2-aminobutanedioic acid

• ChemBase ID: 289738
• Molecular Formular: C10H21N5O6
• Molecular Mass: 307.30364
• Monoisotopic Mass: 307.14918342
• SMILES: N[C@@H](CCCNC(=N)N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O
• Canonical SMILES: OC(=O)C[C@@H](C(=O)O)N.NC(=N)NCCC[C@@H](C(=O)O)N
• InChI: InChI=1S/C6H14N4O2.C4H7NO4/c7-4(5(11)12)2-1-3-10-6(8)9;5-2(4(8)9)1-3(6)7/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2H,1,5H2,(H,6,7)(H,8,9)/t4-;2-/m00/s1
• InChIKey: SUUWYOYAXFUOLX-ZBRNBAAYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-5-carbamimidamidopentanoic acid; (2S)-2-aminobutanedioic acid
• IUPAC Traditional name: L-arginine; L-aspartic acid
• Synonyms: L-Arginine L-aspartate

Database IDs

• CAS Number: 7675-83-4
• MDL Number: MFCD00058334
• PubChem SID: 180675269
• PubChem CID: 11500504

CALCULATED PROPERTIES

• Acid pKa: 2.4113598
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -6.114251
• LogD (pH = 7.4): -5.121845
• Log P: -3.1615653
• Molar Refractivity: 53.9231 cm^3
• Polarizability: 16.904032 Å^3
• Polar Surface Area: 125.22 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%