(2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid

C₆H₁₃N₃O₃ — CID 156772994

About (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid

(2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid (PubChem CID 156772994) has the molecular formula C₆H₁₃N₃O₃ and a molecular weight of 175.19 g/mol. Its IUPAC name is (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid.

Molecular Properties

• Compound Name: (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid
• PubChem CID: 156772994
• Molecular Formula: C₆H₁₃N₃O₃
• Molecular Weight: 175.19 g/mol
• Exact Mass: 175.10
• IUPAC Name: (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid
• SMILES: NN/C=N/CCC[C@@H](O)C(=O)O
• InChI: InChI=1S/C6H13N3O3/c7-9-4-8-3-1-2-5(10)6(11)12/h4-5,10H,1-3,7H2,(H,8,9)(H,11,12)/t5-/m1/s1
• InChIKey: KGWNQTTUJOZFCG-RXMQYKEDSA-N
• XLogP: -1.30
• TPSA: 107.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	175.19
LogP ≤ 5	-1.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid?

The IUPAC name of (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid (CID 156772994) is (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid.

What is the SMILES notation for (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid?

The canonical SMILES for (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid is NN/C=N/CCC[C@@H](O)C(=O)O.

What is the InChIKey of (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid?

The InChIKey is KGWNQTTUJOZFCG-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13N3O3/c7-9-4-8-3-1-2-5(10)6(11)12/h4-5,10H,1-3,7H2,(H,8,9)(H,11,12)/t5-/m1/s1.

What are the key properties of (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid?

(2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid has a molecular weight of 175.19 g/mol, XLogP of -1.30, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-5-(hydrazinylmethylideneamino)-2-hydroxypentanoic acid is sourced from PubChem (CID 156772994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156772994 — identifiers, structure, computed properties (public domain)

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