5-oxo-5-(2-phenylethylamino)pentanoic acid

C13H17NO3 — CID 4301834

IUPAC5-oxo-5-(2-phenylethylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-12(7-4-8-13(16)17)14-10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,15)(H,16,17)
InChIKeyYDQWOZQRRHREID-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.60
Rot. Bonds7

About 5-oxo-5-(2-phenylethylamino)pentanoic acid

5-oxo-5-(2-phenylethylamino)pentanoic acid (PubChem CID 4301834) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 5-oxo-5-(2-phenylethylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(2-phenylethylamino)pentanoic acid
PubChem CID4301834
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name5-oxo-5-(2-phenylethylamino)pentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1ccccc1
InChIInChI=1S/C13H17NO3/c15-12(7-4-8-13(16)17)14-10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,15)(H,16,17)
InChIKeyYDQWOZQRRHREID-UHFFFAOYSA-N
XLogP1.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(2-phenylethylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(2-phenylethylamino)pentanoic acid (CID 4301834) is 5-oxo-5-(2-phenylethylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(2-phenylethylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(2-phenylethylamino)pentanoic acid is O=C(O)CCCC(=O)NCCc1ccccc1.
What is the InChIKey of 5-oxo-5-(2-phenylethylamino)pentanoic acid?
The InChIKey is YDQWOZQRRHREID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12(7-4-8-13(16)17)14-10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,15)(H,16,17).
What are the key properties of 5-oxo-5-(2-phenylethylamino)pentanoic acid?
5-oxo-5-(2-phenylethylamino)pentanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(2-phenylethylamino)pentanoic acid is sourced from PubChem (CID 4301834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).