4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid

C12H23NO3 — CID 43437333

IUPAC4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid
SMILESCCN(CC)C(=O)CC(CC)(CC)C(=O)O
InChIInChI=1S/C12H23NO3/c1-5-12(6-2,11(15)16)9-10(14)13(7-3)8-4/h5-9H2,1-4H3,(H,15,16)
InChIKeyOAYWOKFJNFOLEV-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.14
Rot. Bonds7

About 4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid

4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid (PubChem CID 43437333) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid
PubChem CID43437333
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid
SMILESCCN(CC)C(=O)CC(CC)(CC)C(=O)O
InChIInChI=1S/C12H23NO3/c1-5-12(6-2,11(15)16)9-10(14)13(7-3)8-4/h5-9H2,1-4H3,(H,15,16)
InChIKeyOAYWOKFJNFOLEV-UHFFFAOYSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Acetyl-4-methylpiperidine-4-carboxylic acid
CID 19361808
N,N-Dihexyl-succinamic acid
CID 575037
4-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 55010974
2,2-Diethyl-4-[ethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 55010976
2-Methyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60891736
2,2-Diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 60891932
2,2-Diethyl-4-oxo-4-[3-(trifluoromethyl)piperidin-1-yl]butanoic acid
CID 60918346
4-[Butyl(2,2,2-trifluoroethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60948261
2,2-Diethyl-4-oxo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 60948551
2,2-Diethyl-4-oxo-4-[propyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 60948659
2,2-Diethyl-4-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 60949180
4-[Butyl(2,2,2-trifluoroethyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 60949422

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid?
The IUPAC name of 4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid (CID 43437333) is 4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid is CCN(CC)C(=O)CC(CC)(CC)C(=O)O.
What is the InChIKey of 4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid?
The InChIKey is OAYWOKFJNFOLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-12(6-2,11(15)16)9-10(14)13(7-3)8-4/h5-9H2,1-4H3,(H,15,16).
What are the key properties of 4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid?
4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid has a molecular weight of 229.32 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2,2-diethyl-4-oxobutanoic acid is sourced from PubChem (CID 43437333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).