(2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid

C15H26N6O3 — CID 144957657

About (2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid

(2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid (PubChem CID 144957657) has the molecular formula C15H26N6O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid
• PubChem CID: 144957657
• Molecular Formula: C15H26N6O3
• Molecular Weight: 338.41 g/mol
• Exact Mass: 338.21
• IUPAC Name: (2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid
• SMILES: CCC[C@H](C(=O)O)C(Cc1ccc(NCCO)nc1)/C(=N/N)NN
• InChI: InChI=1S/C15H26N6O3/c1-2-3-11(15(23)24)12(14(20-16)21-17)8-10-4-5-13(19-9-10)18-6-7-22/h4-5,9,11-12,22H,2-3,6-8,16-17H2,1H3,(H,18,19)(H,20,21)(H,23,24)/t11-,12?/m0/s1
• InChIKey: MCPMVWOJJFJYPO-PXYINDEMSA-N
• XLogP: -0.12
• TPSA: 158.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	338.41
LogP ≤ 5	-0.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

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 (2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid?

The IUPAC name of (2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid (CID 144957657) is (2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid.

What is the SMILES notation for (2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid?

The canonical SMILES for (2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid is CCC[C@H](C(=O)O)C(Cc1ccc(NCCO)nc1)/C(=N/N)NN.

What is the InChIKey of (2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid?

The InChIKey is MCPMVWOJJFJYPO-PXYINDEMSA-N. The full InChI is InChI=1S/C15H26N6O3/c1-2-3-11(15(23)24)12(14(20-16)21-17)8-10-4-5-13(19-9-10)18-6-7-22/h4-5,9,11-12,22H,2-3,6-8,16-17H2,1H3,(H,18,19)(H,20,21)(H,23,24)/t11-,12?/m0/s1.

What are the key properties of (2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid?

(2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid has a molecular weight of 338.41 g/mol, XLogP of -0.12, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[(1Z)-1-hydrazinyl-1-hydrazinylidene-3-[6-(2-hydroxyethylamino)-3-pyridinyl]propan-2-yl]pentanoic acid is sourced from PubChem (CID 144957657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).