2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid

C19H23N5O10 — CID 85110022

About 2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid

2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (PubChem CID 85110022) has the molecular formula C19H23N5O10 and a molecular weight of 481.42 g/mol. Its IUPAC name is 2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
• PubChem CID: 85110022
• Molecular Formula: C19H23N5O10
• Molecular Weight: 481.42 g/mol
• Exact Mass: 481.14
• IUPAC Name: 2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
• SMILES: NC(CC(O)c1ccc(O)cn1)C(=O)NC(C(=O)O)C1OC(n2cc(C=O)[nH]c2=O)C(O)C1O
• InChI: InChI=1S/C19H23N5O10/c20-9(3-11(27)10-2-1-8(26)4-21-10)16(30)23-12(18(31)32)15-13(28)14(29)17(34-15)24-5-7(6-25)22-19(24)33/h1-2,4-6,9,11-15,17,26-29H,3,20H2,(H,22,33)(H,23,30)(H,31,32)
• InChIKey: IIJAQEXWPIAVJU-UHFFFAOYSA-N
• XLogP: -3.27
• TPSA: 250.32 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	481.42
LogP ≤ 5	-3.27
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid?

The IUPAC name of 2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (CID 85110022) is 2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid.

What is the SMILES notation for 2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid?

The canonical SMILES for 2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid is NC(CC(O)c1ccc(O)cn1)C(=O)NC(C(=O)O)C1OC(n2cc(C=O)[nH]c2=O)C(O)C1O.

What is the InChIKey of 2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid?

The InChIKey is IIJAQEXWPIAVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O10/c20-9(3-11(27)10-2-1-8(26)4-21-10)16(30)23-12(18(31)32)15-13(28)14(29)17(34-15)24-5-7(6-25)22-19(24)33/h1-2,4-6,9,11-15,17,26-29H,3,20H2,(H,22,33)(H,23,30)(H,31,32).

What are the key properties of 2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid?

2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid has a molecular weight of 481.42 g/mol, XLogP of -3.27, 9 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-amino-4-hydroxy-4-(5-hydroxy-2-pyridinyl)butanoyl]amino]-2-[5-(5-formyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid is sourced from PubChem (CID 85110022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).