2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid

C15H25NO4 — CID 68746440

IUPAC2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid
SMILESC=CCCCCCC(N)(C(=O)O)C(=O)OC1CCCC1
InChIInChI=1S/C15H25NO4/c1-2-3-4-5-8-11-15(16,13(17)18)14(19)20-12-9-6-7-10-12/h2,12H,1,3-11,16H2,(H,17,18)
InChIKeyIBUYQPFLYLTLDS-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.39
Rot. Bonds9

About 2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid

2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid (PubChem CID 68746440) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid
PubChem CID68746440
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid
SMILESC=CCCCCCC(N)(C(=O)O)C(=O)OC1CCCC1
InChIInChI=1S/C15H25NO4/c1-2-3-4-5-8-11-15(16,13(17)18)14(19)20-12-9-6-7-10-12/h2,12H,1,3-11,16H2,(H,17,18)
InChIKeyIBUYQPFLYLTLDS-UHFFFAOYSA-N
XLogP2.39
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.39
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid?
The IUPAC name of 2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid (CID 68746440) is 2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid.
What is the SMILES notation for 2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid?
The canonical SMILES for 2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid is C=CCCCCCC(N)(C(=O)O)C(=O)OC1CCCC1.
What is the InChIKey of 2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid?
The InChIKey is IBUYQPFLYLTLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-2-3-4-5-8-11-15(16,13(17)18)14(19)20-12-9-6-7-10-12/h2,12H,1,3-11,16H2,(H,17,18).
What are the key properties of 2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid?
2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid has a molecular weight of 283.37 g/mol, XLogP of 2.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopentyloxycarbonylnon-8-enoic acid is sourced from PubChem (CID 68746440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).