5-oxo-5-(3-phenylpropylamino)pentanoic acid

C14H19NO3 — CID 2164885

IUPAC5-oxo-5-(3-phenylpropylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-13(9-4-10-14(17)18)15-11-5-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,16)(H,17,18)
InChIKeyHNUNGTIMPVGZNU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.99
Rot. Bonds8

About 5-oxo-5-(3-phenylpropylamino)pentanoic acid

5-oxo-5-(3-phenylpropylamino)pentanoic acid (PubChem CID 2164885) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-oxo-5-(3-phenylpropylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(3-phenylpropylamino)pentanoic acid
PubChem CID2164885
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-oxo-5-(3-phenylpropylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCCc1ccccc1
InChIInChI=1S/C14H19NO3/c16-13(9-4-10-14(17)18)15-11-5-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,16)(H,17,18)
InChIKeyHNUNGTIMPVGZNU-UHFFFAOYSA-N
XLogP1.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.99
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-(3-phenylpropylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(3-phenylpropylamino)pentanoic acid (CID 2164885) is 5-oxo-5-(3-phenylpropylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(3-phenylpropylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(3-phenylpropylamino)pentanoic acid is O=C(O)CCCC(=O)NCCCc1ccccc1.
What is the InChIKey of 5-oxo-5-(3-phenylpropylamino)pentanoic acid?
The InChIKey is HNUNGTIMPVGZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c16-13(9-4-10-14(17)18)15-11-5-8-12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2,(H,15,16)(H,17,18).
What are the key properties of 5-oxo-5-(3-phenylpropylamino)pentanoic acid?
5-oxo-5-(3-phenylpropylamino)pentanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(3-phenylpropylamino)pentanoic acid is sourced from PubChem (CID 2164885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).