2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid

C14H26N6O6 — CID 22656614

About 2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid

2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid (PubChem CID 22656614) has the molecular formula C14H26N6O6 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid.

Molecular Properties

• Compound Name: 2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid
• PubChem CID: 22656614
• Molecular Formula: C14H26N6O6
• Molecular Weight: 374.40 g/mol
• Exact Mass: 374.19
• IUPAC Name: 2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid
• SMILES: NCCCCC(NC(=O)C(N)CC(N)=O)C(=O)NCC(=O)NCC(=O)O
• InChI: InChI=1S/C14H26N6O6/c15-4-2-1-3-9(20-13(25)8(16)5-10(17)21)14(26)19-6-11(22)18-7-12(23)24/h8-9H,1-7,15-16H2,(H2,17,21)(H,18,22)(H,19,26)(H,20,25)(H,23,24)
• InChIKey: OZZACKHDNQVXGU-UHFFFAOYSA-N
• XLogP: -3.88
• TPSA: 219.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	374.40
LogP ≤ 5	-3.88
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid?

The IUPAC name of 2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid (CID 22656614) is 2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid.

What is the SMILES notation for 2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid?

The canonical SMILES for 2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid is NCCCCC(NC(=O)C(N)CC(N)=O)C(=O)NCC(=O)NCC(=O)O.

What is the InChIKey of 2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid?

The InChIKey is OZZACKHDNQVXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O6/c15-4-2-1-3-9(20-13(25)8(16)5-10(17)21)14(26)19-6-11(22)18-7-12(23)24/h8-9H,1-7,15-16H2,(H2,17,21)(H,18,22)(H,19,26)(H,20,25)(H,23,24).

What are the key properties of 2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid?

2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid has a molecular weight of 374.40 g/mol, XLogP of -3.88, 13 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[6-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]hexanoyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 22656614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).