5-(dipropylamino)-5-oxopentanoic acid

C11H21NO3 — CID 16772901

IUPAC5-(dipropylamino)-5-oxopentanoic acid
SMILESCCCN(CCC)C(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-8-12(9-4-2)10(13)6-5-7-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyOSFOQQNTRFDYIB-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.89
Rot. Bonds8

About 5-(dipropylamino)-5-oxopentanoic acid

5-(dipropylamino)-5-oxopentanoic acid (PubChem CID 16772901) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 5-(dipropylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(dipropylamino)-5-oxopentanoic acid
PubChem CID16772901
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name5-(dipropylamino)-5-oxopentanoic acid
SMILESCCCN(CCC)C(=O)CCCC(=O)O
InChIInChI=1S/C11H21NO3/c1-3-8-12(9-4-2)10(13)6-5-7-11(14)15/h3-9H2,1-2H3,(H,14,15)
InChIKeyOSFOQQNTRFDYIB-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dipropylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(dipropylamino)-5-oxopentanoic acid (CID 16772901) is 5-(dipropylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(dipropylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(dipropylamino)-5-oxopentanoic acid is CCCN(CCC)C(=O)CCCC(=O)O.
What is the InChIKey of 5-(dipropylamino)-5-oxopentanoic acid?
The InChIKey is OSFOQQNTRFDYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-8-12(9-4-2)10(13)6-5-7-11(14)15/h3-9H2,1-2H3,(H,14,15).
What are the key properties of 5-(dipropylamino)-5-oxopentanoic acid?
5-(dipropylamino)-5-oxopentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylamino)-5-oxopentanoic acid is sourced from PubChem (CID 16772901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).