potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate

C10H18KNO4 — CID 173150834

IUPACpotassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate
SMILESCCN(CC)CC.O=C([O-])C=CC(=O)O.[K+]
InChIInChI=1S/C6H15N.C4H4O4.K/c1-4-7(5-2)6-3;5-3(6)1-2-4(7)8;/h4-6H2,1-3H3;1-2H,(H,5,6)(H,7,8);/q;;+1/p-1
InChIKeyGBCLTJRGYCIYQD-UHFFFAOYSA-M
MW255.35 g/mol
LogP-3.27
Rot. Bonds5

About potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate

potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate (PubChem CID 173150834) has the molecular formula C10H18KNO4 and a molecular weight of 255.35 g/mol. Its IUPAC name is potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate.

Molecular Properties

Compound Namepotassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate
PubChem CID173150834
Molecular FormulaC10H18KNO4
Molecular Weight255.35 g/mol
Exact Mass255.09
IUPAC Namepotassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate
SMILESCCN(CC)CC.O=C([O-])C=CC(=O)O.[K+]
InChIInChI=1S/C6H15N.C4H4O4.K/c1-4-7(5-2)6-3;5-3(6)1-2-4(7)8;/h4-6H2,1-3H3;1-2H,(H,5,6)(H,7,8);/q;;+1/p-1
InChIKeyGBCLTJRGYCIYQD-UHFFFAOYSA-M
XLogP-3.27
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 5-3.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate
CID 173151140
ethyl(trimethyl)azanium;(E)-4-hydroxy-4-oxobut-2-enoate
CID 87749446
(Z)-4-hydroxy-4-oxobut-2-enoate;tetraethylphosphanium
CID 88517646
azanium (E)-4-hydroxy-4-oxobut-2-enoate
CID 86747612
diazanium;but-2-enedioate;but-2-enedioic acid
CID 158249134
azanium;(Z)-4-hydroxy-4-oxobut-2-enoate;hydrate
CID 139697277
acetic acid;N,N-diethylethanamine;dihydrochloride
CID 173065244
triazanium;(E)-but-2-enedioate;ethanolate
CID 141132724
diazanium;(E)-but-2-enedioate;ethanol
CID 172813479
N,N-diethylethanamine;methanol;acetate
CID 19101833
(Z)-4-hydroxy-4-oxobut-2-enoate;tributyl(ethyl)azanium
CID 87749569
(Z)-but-2-enedioic acid;bis(N,N-dipropylpropan-1-amine)
CID 173189051

Frequently Asked Questions

What is the IUPAC name of potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate?
The IUPAC name of potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate (CID 173150834) is potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate.
What is the SMILES notation for potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate?
The canonical SMILES for potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate is CCN(CC)CC.O=C([O-])C=CC(=O)O.[K+].
What is the InChIKey of potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate?
The InChIKey is GBCLTJRGYCIYQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15N.C4H4O4.K/c1-4-7(5-2)6-3;5-3(6)1-2-4(7)8;/h4-6H2,1-3H3;1-2H,(H,5,6)(H,7,8);/q;;+1/p-1.
What are the key properties of potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate?
potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate has a molecular weight of 255.35 g/mol, XLogP of -3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate is sourced from PubChem (CID 173150834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).