5-oxo-5-(propylamino)pentanoic acid

C8H15NO3 — CID 5135850

IUPAC5-oxo-5-(propylamino)pentanoic acid
SMILESCCCNC(=O)CCCC(=O)O
InChIInChI=1S/C8H15NO3/c1-2-6-9-7(10)4-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKeyPPXIZOJZOSPHLC-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.77
Rot. Bonds6

About 5-oxo-5-(propylamino)pentanoic acid

5-oxo-5-(propylamino)pentanoic acid (PubChem CID 5135850) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-oxo-5-(propylamino)pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-(propylamino)pentanoic acid
PubChem CID5135850
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name5-oxo-5-(propylamino)pentanoic acid
SMILESCCCNC(=O)CCCC(=O)O
InChIInChI=1S/C8H15NO3/c1-2-6-9-7(10)4-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKeyPPXIZOJZOSPHLC-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-(propylamino)pentanoic acid?
The IUPAC name of 5-oxo-5-(propylamino)pentanoic acid (CID 5135850) is 5-oxo-5-(propylamino)pentanoic acid.
What is the SMILES notation for 5-oxo-5-(propylamino)pentanoic acid?
The canonical SMILES for 5-oxo-5-(propylamino)pentanoic acid is CCCNC(=O)CCCC(=O)O.
What is the InChIKey of 5-oxo-5-(propylamino)pentanoic acid?
The InChIKey is PPXIZOJZOSPHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-6-9-7(10)4-3-5-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 5-oxo-5-(propylamino)pentanoic acid?
5-oxo-5-(propylamino)pentanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-(propylamino)pentanoic acid is sourced from PubChem (CID 5135850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).