14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid

C₂₀H₃₈N₄O₆ — CID 155215582

About 14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid

14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid (PubChem CID 155215582) has the molecular formula C₂₀H₃₈N₄O₆ and a molecular weight of 430.55 g/mol. Its IUPAC name is 14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid.

Molecular Properties

• Compound Name: 14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid
• PubChem CID: 155215582
• Molecular Formula: C₂₀H₃₈N₄O₆
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.28
• IUPAC Name: 14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid
• SMILES: CNNNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCC(=O)O)C(=O)O
• InChI: InChI=1S/C20H38N4O6/c1-21-24-23-18(26)15-14-16(20(29)30)22-17(25)12-10-8-6-4-2-3-5-7-9-11-13-19(27)28/h16,21,24H,2-15H2,1H3,(H,22,25)(H,23,26)(H,27,28)(H,29,30)/t16-/m0/s1
• InChIKey: GZOFHLQLHGSWCE-INIZCTEOSA-N
• XLogP: 1.86
• TPSA: 156.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid?

The IUPAC name of 14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid (CID 155215582) is 14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid.

What is the SMILES notation for 14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid?

The canonical SMILES for 14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid is CNNNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCC(=O)O)C(=O)O.

What is the InChIKey of 14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid?

The InChIKey is GZOFHLQLHGSWCE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H38N4O6/c1-21-24-23-18(26)15-14-16(20(29)30)22-17(25)12-10-8-6-4-2-3-5-7-9-11-13-19(27)28/h16,21,24H,2-15H2,1H3,(H,22,25)(H,23,26)(H,27,28)(H,29,30)/t16-/m0/s1.

What are the key properties of 14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid?

14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid has a molecular weight of 430.55 g/mol, XLogP of 1.86, 20 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[[(1S)-1-carboxy-4-[2-(methylamino)hydrazinyl]-4-oxobutyl]amino]-14-oxotetradecanoic acid is sourced from PubChem (CID 155215582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155215582 — identifiers, structure, computed properties (public domain)

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