5-oxo-5-(4-phenylbutylamino)pentanoic acid

C15H21NO3 — CID 2166775

IUPAC5-oxo-5-(4-phenylbutylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCCCc1ccccc1
InChIInChI=1S/C15H21NO3/c17-14(10-6-11-15(18)19)16-12-5-4-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,16,17)(H,18,19)
InChIKeyJQNVENRYQGSGFO-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.38
Rot. Bonds9

About 5-oxo-5-(4-phenylbutylamino)pentanoic acid

5-oxo-5-(4-phenylbutylamino)pentanoic acid (PubChem CID 2166775) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-oxo-5-(4-phenylbutylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(4-phenylbutylamino)pentanoic acid
PubChem CID2166775
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name5-oxo-5-(4-phenylbutylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCCCc1ccccc1
InChIInChI=1S/C15H21NO3/c17-14(10-6-11-15(18)19)16-12-5-4-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,16,17)(H,18,19)
InChIKeyJQNVENRYQGSGFO-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-oxo-5-(4-phenylbutylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(4-phenylbutylamino)pentanoic acid (CID 2166775) is 5-oxo-5-(4-phenylbutylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(4-phenylbutylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(4-phenylbutylamino)pentanoic acid is O=C(O)CCCC(=O)NCCCCc1ccccc1.
What is the InChIKey of 5-oxo-5-(4-phenylbutylamino)pentanoic acid?
The InChIKey is JQNVENRYQGSGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c17-14(10-6-11-15(18)19)16-12-5-4-9-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,16,17)(H,18,19).
What are the key properties of 5-oxo-5-(4-phenylbutylamino)pentanoic acid?
5-oxo-5-(4-phenylbutylamino)pentanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(4-phenylbutylamino)pentanoic acid is sourced from PubChem (CID 2166775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).