2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid

C16H30N6O4 — CID 144957454

About 2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid

2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid (PubChem CID 144957454) has the molecular formula C16H30N6O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid.

Molecular Properties

• Compound Name: 2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid
• PubChem CID: 144957454
• Molecular Formula: C16H30N6O4
• Molecular Weight: 370.45 g/mol
• Exact Mass: 370.23
• IUPAC Name: 2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid
• SMILES: CC(C)C(C/C(=N/N)NN)C(=O)O.Cc1ccc(OCC(N)CO)nc1
• InChI: InChI=1S/C9H14N2O2.C7H16N4O2/c1-7-2-3-9(11-4-7)13-6-8(10)5-12;1-4(2)5(7(12)13)3-6(10-8)11-9/h2-4,8,12H,5-6,10H2,1H3;4-5H,3,8-9H2,1-2H3,(H,10,11)(H,12,13)
• InChIKey: TWSRXKGGPIOAAR-UHFFFAOYSA-N
• XLogP: -0.44
• TPSA: 182.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.45
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid?

The IUPAC name of 2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid (CID 144957454) is 2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid.

What is the SMILES notation for 2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid?

The canonical SMILES for 2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid is CC(C)C(C/C(=N/N)NN)C(=O)O.Cc1ccc(OCC(N)CO)nc1.

What is the InChIKey of 2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid?

The InChIKey is TWSRXKGGPIOAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2.C7H16N4O2/c1-7-2-3-9(11-4-7)13-6-8(10)5-12;1-4(2)5(7(12)13)3-6(10-8)11-9/h2-4,8,12H,5-6,10H2,1H3;4-5H,3,8-9H2,1-2H3,(H,10,11)(H,12,13).

What are the key properties of 2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid?

2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid has a molecular weight of 370.45 g/mol, XLogP of -0.44, 8 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3-[(5-methyl-2-pyridinyl)oxy]propan-1-ol;(4Z)-4-hydrazinyl-4-hydrazinylidene-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 144957454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).