2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid

C24H53N11O8 — CID 174366259

About 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid

2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid (PubChem CID 174366259) has the molecular formula C24H53N11O8 and a molecular weight of 623.76 g/mol. Its IUPAC name is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid.

Molecular Properties

• Compound Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid
• PubChem CID: 174366259
• Molecular Formula: C24H53N11O8
• Molecular Weight: 623.76 g/mol
• Exact Mass: 623.41
• IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid
• SMILES: CC(C)CC(N)C(=O)O.N.NC(Cc1cnc[nH]1)C(=O)O.NC(N)=NCCCC(N)C(=O)O.NCCCCC(N)C(=O)O
• InChI: InChI=1S/C6H14N4O2.C6H9N3O2.C6H14N2O2.C6H13NO2.H3N/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(6(10)11)1-4-2-8-3-9-4;7-4-2-1-3-5(8)6(9)10;1-4(2)3-5(7)6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3,5H,1,7H2,(H,8,9)(H,10,11);5H,1-4,7-8H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9);1H3
• InChIKey: IDDPLVAHYUXFTP-UHFFFAOYSA-N
• XLogP: -2.05
• TPSA: 407.38 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	623.76
LogP ≤ 5	-2.05
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	12

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 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid?

The IUPAC name of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid (CID 174366259) is 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid.

What is the SMILES notation for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid?

The canonical SMILES for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid is CC(C)CC(N)C(=O)O.N.NC(Cc1cnc[nH]1)C(=O)O.NC(N)=NCCCC(N)C(=O)O.NCCCCC(N)C(=O)O.

What is the InChIKey of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid?

The InChIKey is IDDPLVAHYUXFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2.C6H9N3O2.C6H14N2O2.C6H13NO2.H3N/c7-4(5(11)12)2-1-3-10-6(8)9;7-5(6(10)11)1-4-2-8-3-9-4;7-4-2-1-3-5(8)6(9)10;1-4(2)3-5(7)6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3,5H,1,7H2,(H,8,9)(H,10,11);5H,1-4,7-8H2,(H,9,10);4-5H,3,7H2,1-2H3,(H,8,9);1H3.

What are the key properties of 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid?

2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid has a molecular weight of 623.76 g/mol, XLogP of -2.05, 16 rotatable bonds, 13 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-4-methylpentanoic acid;azane;2,6-diaminohexanoic acid is sourced from PubChem (CID 174366259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).