bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid)

C24H54N10O8 — CID 173168224

About bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid)

bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid) (PubChem CID 173168224) has the molecular formula C24H54N10O8 and a molecular weight of 610.76 g/mol. Its IUPAC name is bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid).

Molecular Properties

• Compound Name: bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid)
• PubChem CID: 173168224
• Molecular Formula: C24H54N10O8
• Molecular Weight: 610.76 g/mol
• Exact Mass: 610.41
• IUPAC Name: bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid)
• SMILES: CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O
• InChI: InChI=1S/2C6H14N4O2.2C6H13NO2/c2*7-4(5(11)12)2-1-3-10-6(8)9;2*1-4(2)3-5(7)6(8)9/h2*4H,1-3,7H2,(H,11,12)(H4,8,9,10);2*4-5H,3,7H2,1-2H3,(H,8,9)/t2*4-;2*5-/m0000/s1
• InChIKey: RNHSDLZECPAFTK-BQJZHXBNSA-N
• XLogP: -2.21
• TPSA: 382.08 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.76
LogP ≤ 5	-2.21
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid)?

The IUPAC name of bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid) (CID 173168224) is bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid).

What is the SMILES notation for bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid)?

The canonical SMILES for bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid) is CC(C)C[C@H](N)C(=O)O.CC(C)C[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.NC(N)=NCCC[C@H](N)C(=O)O.

What is the InChIKey of bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid)?

The InChIKey is RNHSDLZECPAFTK-BQJZHXBNSA-N. The full InChI is InChI=1S/2C6H14N4O2.2C6H13NO2/c2*7-4(5(11)12)2-1-3-10-6(8)9;2*1-4(2)3-5(7)6(8)9/h2*4H,1-3,7H2,(H,11,12)(H4,8,9,10);2*4-5H,3,7H2,1-2H3,(H,8,9)/t2*4-;2*5-/m0000/s1.

What are the key properties of bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid)?

bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid) has a molecular weight of 610.76 g/mol, XLogP of -2.21, 16 rotatable bonds, 12 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);bis((2S)-2-amino-4-methylpentanoic acid) is sourced from PubChem (CID 173168224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).