5-amino-5-oxo-4-phenylpentanoic acid

C11H13NO3 — CID 11041951

IUPAC5-amino-5-oxo-4-phenylpentanoic acid
SMILESNC(=O)C(CCC(=O)O)c1ccccc1
InChIInChI=1S/C11H13NO3/c12-11(15)9(6-7-10(13)14)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,15)(H,13,14)
InChIKeyXWTQZVJSBPJQPH-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.12
Rot. Bonds5

About 5-amino-5-oxo-4-phenylpentanoic acid

5-amino-5-oxo-4-phenylpentanoic acid (PubChem CID 11041951) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 5-amino-5-oxo-4-phenylpentanoic acid.

Molecular Properties

Compound Name5-amino-5-oxo-4-phenylpentanoic acid
PubChem CID11041951
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name5-amino-5-oxo-4-phenylpentanoic acid
SMILESNC(=O)C(CCC(=O)O)c1ccccc1
InChIInChI=1S/C11H13NO3/c12-11(15)9(6-7-10(13)14)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,15)(H,13,14)
InChIKeyXWTQZVJSBPJQPH-UHFFFAOYSA-N
XLogP1.12
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-oxo-4-phenylpentanoic acid?
The IUPAC name of 5-amino-5-oxo-4-phenylpentanoic acid (CID 11041951) is 5-amino-5-oxo-4-phenylpentanoic acid.
What is the SMILES notation for 5-amino-5-oxo-4-phenylpentanoic acid?
The canonical SMILES for 5-amino-5-oxo-4-phenylpentanoic acid is NC(=O)C(CCC(=O)O)c1ccccc1.
What is the InChIKey of 5-amino-5-oxo-4-phenylpentanoic acid?
The InChIKey is XWTQZVJSBPJQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-11(15)9(6-7-10(13)14)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,12,15)(H,13,14).
What are the key properties of 5-amino-5-oxo-4-phenylpentanoic acid?
5-amino-5-oxo-4-phenylpentanoic acid has a molecular weight of 207.23 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-oxo-4-phenylpentanoic acid is sourced from PubChem (CID 11041951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).