2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid

C14H21NO5 — CID 54386880

IUPAC2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid
SMILESCON=C1CCC=C1CCCCCC(C(=O)O)C(=O)O
InChIInChI=1S/C14H21NO5/c1-20-15-12-9-5-7-10(12)6-3-2-4-8-11(13(16)17)14(18)19/h7,11H,2-6,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyVDWISRIMKQRJAO-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.44
Rot. Bonds9

About 2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid

2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid (PubChem CID 54386880) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid.

Molecular Properties

Compound Name2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid
PubChem CID54386880
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid
SMILESCON=C1CCC=C1CCCCCC(C(=O)O)C(=O)O
InChIInChI=1S/C14H21NO5/c1-20-15-12-9-5-7-10(12)6-3-2-4-8-11(13(16)17)14(18)19/h7,11H,2-6,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyVDWISRIMKQRJAO-UHFFFAOYSA-N
XLogP2.44
TPSA96.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid?
The IUPAC name of 2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid (CID 54386880) is 2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid.
What is the SMILES notation for 2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid?
The canonical SMILES for 2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid is CON=C1CCC=C1CCCCCC(C(=O)O)C(=O)O.
What is the InChIKey of 2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid?
The InChIKey is VDWISRIMKQRJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-20-15-12-9-5-7-10(12)6-3-2-4-8-11(13(16)17)14(18)19/h7,11H,2-6,8-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid?
2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid has a molecular weight of 283.32 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methoxyiminocyclopenten-1-yl)pentyl]propanedioic acid is sourced from PubChem (CID 54386880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).