4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid

C15H25NO5 — CID 3385125

IUPAC4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid
SMILESCC(C)=CCCC1(C)OC(=O)N(CCCC(=O)O)C1(C)O
InChIInChI=1S/C15H25NO5/c1-11(2)7-5-9-14(3)15(4,20)16(13(19)21-14)10-6-8-12(17)18/h7,20H,5-6,8-10H2,1-4H3,(H,17,18)
InChIKeyNSSGDDMZMSYFSP-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.52
Rot. Bonds7

About 4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid

4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid (PubChem CID 3385125) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid.

Molecular Properties

Compound Name4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid
PubChem CID3385125
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid
SMILESCC(C)=CCCC1(C)OC(=O)N(CCCC(=O)O)C1(C)O
InChIInChI=1S/C15H25NO5/c1-11(2)7-5-9-14(3)15(4,20)16(13(19)21-14)10-6-8-12(17)18/h7,20H,5-6,8-10H2,1-4H3,(H,17,18)
InChIKeyNSSGDDMZMSYFSP-UHFFFAOYSA-N
XLogP2.52
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid?
The IUPAC name of 4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid (CID 3385125) is 4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid.
What is the SMILES notation for 4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid?
The canonical SMILES for 4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid is CC(C)=CCCC1(C)OC(=O)N(CCCC(=O)O)C1(C)O.
What is the InChIKey of 4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid?
The InChIKey is NSSGDDMZMSYFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-11(2)7-5-9-14(3)15(4,20)16(13(19)21-14)10-6-8-12(17)18/h7,20H,5-6,8-10H2,1-4H3,(H,17,18).
What are the key properties of 4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid?
4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid has a molecular weight of 299.37 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-4,5-dimethyl-5-(4-methylpent-3-enyl)-2-oxo-1,3-oxazolidin-3-yl]butanoic acid is sourced from PubChem (CID 3385125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).