4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid

C20H37NO4 — CID 10291759

IUPAC4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid
SMILESCCCCCCCCNC(=O)C1(CC(CCOC)C(=O)O)CCCC1
InChIInChI=1S/C20H37NO4/c1-3-4-5-6-7-10-14-21-19(24)20(12-8-9-13-20)16-17(18(22)23)11-15-25-2/h17H,3-16H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyYXPRYEMTDJDGOM-UHFFFAOYSA-N
MW355.52 g/mol
LogP4.15
Rot. Bonds14

About 4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid

4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid (PubChem CID 10291759) has the molecular formula C20H37NO4 and a molecular weight of 355.52 g/mol. Its IUPAC name is 4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid
PubChem CID10291759
Molecular FormulaC20H37NO4
Molecular Weight355.52 g/mol
Exact Mass355.27
IUPAC Name4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid
SMILESCCCCCCCCNC(=O)C1(CC(CCOC)C(=O)O)CCCC1
InChIInChI=1S/C20H37NO4/c1-3-4-5-6-7-10-14-21-19(24)20(12-8-9-13-20)16-17(18(22)23)11-15-25-2/h17H,3-16H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyYXPRYEMTDJDGOM-UHFFFAOYSA-N
XLogP4.15
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid?
The IUPAC name of 4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid (CID 10291759) is 4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid is CCCCCCCCNC(=O)C1(CC(CCOC)C(=O)O)CCCC1.
What is the InChIKey of 4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid?
The InChIKey is YXPRYEMTDJDGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO4/c1-3-4-5-6-7-10-14-21-19(24)20(12-8-9-13-20)16-17(18(22)23)11-15-25-2/h17H,3-16H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid?
4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid has a molecular weight of 355.52 g/mol, XLogP of 4.15, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[1-(octylcarbamoyl)cyclopentyl]methyl]butanoic acid is sourced from PubChem (CID 10291759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).