4-(diethylamino)-2-ethyl-4-oxobutanoic acid

C10H19NO3 — CID 112515205

IUPAC4-(diethylamino)-2-ethyl-4-oxobutanoic acid
SMILESCCC(CC(=O)N(CC)CC)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-8(10(13)14)7-9(12)11(5-2)6-3/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyHPNGLCCRJXBDAD-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.36
Rot. Bonds6

About 4-(diethylamino)-2-ethyl-4-oxobutanoic acid

4-(diethylamino)-2-ethyl-4-oxobutanoic acid (PubChem CID 112515205) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(diethylamino)-2-ethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(diethylamino)-2-ethyl-4-oxobutanoic acid
PubChem CID112515205
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(diethylamino)-2-ethyl-4-oxobutanoic acid
SMILESCCC(CC(=O)N(CC)CC)C(=O)O
InChIInChI=1S/C10H19NO3/c1-4-8(10(13)14)7-9(12)11(5-2)6-3/h8H,4-7H2,1-3H3,(H,13,14)
InChIKeyHPNGLCCRJXBDAD-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-ethyl-4-oxobutanoic acid?
The IUPAC name of 4-(diethylamino)-2-ethyl-4-oxobutanoic acid (CID 112515205) is 4-(diethylamino)-2-ethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(diethylamino)-2-ethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(diethylamino)-2-ethyl-4-oxobutanoic acid is CCC(CC(=O)N(CC)CC)C(=O)O.
What is the InChIKey of 4-(diethylamino)-2-ethyl-4-oxobutanoic acid?
The InChIKey is HPNGLCCRJXBDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-8(10(13)14)7-9(12)11(5-2)6-3/h8H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-(diethylamino)-2-ethyl-4-oxobutanoic acid?
4-(diethylamino)-2-ethyl-4-oxobutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-ethyl-4-oxobutanoic acid is sourced from PubChem (CID 112515205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).