5-(diethylamino)-5-oxopentanoic acid

C9H17NO3 — CID 5057876

IUPAC5-(diethylamino)-5-oxopentanoic acid
SMILESCCN(CC)C(=O)CCCC(=O)O
InChIInChI=1S/C9H17NO3/c1-3-10(4-2)8(11)6-5-7-9(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyXYMWLIJFLBQNMI-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.11
Rot. Bonds6

About 5-(diethylamino)-5-oxopentanoic acid

5-(diethylamino)-5-oxopentanoic acid (PubChem CID 5057876) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-(diethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(diethylamino)-5-oxopentanoic acid
PubChem CID5057876
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name5-(diethylamino)-5-oxopentanoic acid
SMILESCCN(CC)C(=O)CCCC(=O)O
InChIInChI=1S/C9H17NO3/c1-3-10(4-2)8(11)6-5-7-9(12)13/h3-7H2,1-2H3,(H,12,13)
InChIKeyXYMWLIJFLBQNMI-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-5-oxopentanoic acid?
The IUPAC name of 5-(diethylamino)-5-oxopentanoic acid (CID 5057876) is 5-(diethylamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(diethylamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(diethylamino)-5-oxopentanoic acid is CCN(CC)C(=O)CCCC(=O)O.
What is the InChIKey of 5-(diethylamino)-5-oxopentanoic acid?
The InChIKey is XYMWLIJFLBQNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-10(4-2)8(11)6-5-7-9(12)13/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-(diethylamino)-5-oxopentanoic acid?
5-(diethylamino)-5-oxopentanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 5057876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).