5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid

C14H25NO4 — CID 54867552

IUPAC5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCCOC1CCCCC1
InChIInChI=1S/C14H25NO4/c16-13(8-4-9-14(17)18)15-10-5-11-19-12-6-2-1-3-7-12/h12H,1-11H2,(H,15,16)(H,17,18)
InChIKeySUVGTAWNRWOHQW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.10
Rot. Bonds9

About 5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid

5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid (PubChem CID 54867552) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid
PubChem CID54867552
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCCOC1CCCCC1
InChIInChI=1S/C14H25NO4/c16-13(8-4-9-14(17)18)15-10-5-11-19-12-6-2-1-3-7-12/h12H,1-11H2,(H,15,16)(H,17,18)
InChIKeySUVGTAWNRWOHQW-UHFFFAOYSA-N
XLogP2.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.10
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 5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid (CID 54867552) is 5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NCCCOC1CCCCC1.
What is the InChIKey of 5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid?
The InChIKey is SUVGTAWNRWOHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c16-13(8-4-9-14(17)18)15-10-5-11-19-12-6-2-1-3-7-12/h12H,1-11H2,(H,15,16)(H,17,18).
What are the key properties of 5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid?
5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 2.10, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclohexyloxypropylamino)-5-oxopentanoic acid is sourced from PubChem (CID 54867552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).