4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid

C15H25NO4 — CID 91384917

IUPAC4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid
SMILESC=C=CC(C(C)C)C(O)NCC(O)C(=C)C(C)C(=O)O
InChIInChI=1S/C15H25NO4/c1-6-7-12(9(2)3)14(18)16-8-13(17)10(4)11(5)15(19)20/h7,9,11-14,16-18H,1,4,8H2,2-3,5H3,(H,19,20)
InChIKeyFRTKPTVYRLSSDZ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.15
Rot. Bonds9

About 4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid

4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid (PubChem CID 91384917) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid.

Molecular Properties

Compound Name4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid
PubChem CID91384917
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid
SMILESC=C=CC(C(C)C)C(O)NCC(O)C(=C)C(C)C(=O)O
InChIInChI=1S/C15H25NO4/c1-6-7-12(9(2)3)14(18)16-8-13(17)10(4)11(5)15(19)20/h7,9,11-14,16-18H,1,4,8H2,2-3,5H3,(H,19,20)
InChIKeyFRTKPTVYRLSSDZ-UHFFFAOYSA-N
XLogP1.15
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid?
The IUPAC name of 4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid (CID 91384917) is 4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid.
What is the SMILES notation for 4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid?
The canonical SMILES for 4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid is C=C=CC(C(C)C)C(O)NCC(O)C(=C)C(C)C(=O)O.
What is the InChIKey of 4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid?
The InChIKey is FRTKPTVYRLSSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-6-7-12(9(2)3)14(18)16-8-13(17)10(4)11(5)15(19)20/h7,9,11-14,16-18H,1,4,8H2,2-3,5H3,(H,19,20).
What are the key properties of 4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid?
4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.15, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[(1-hydroxy-2-propan-2-ylpenta-3,4-dienyl)amino]-2-methyl-3-methylidenepentanoic acid is sourced from PubChem (CID 91384917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).