potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate

C7H12KNO4 — CID 173151140

IUPACpotassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate
SMILESCN(C)C.O=C([O-])/C=C\C(=O)O.[K+]
InChIInChI=1S/C4H4O4.C3H9N.K/c5-3(6)1-2-4(7)8;1-4(2)3;/h1-2H,(H,5,6)(H,7,8);1-3H3;/q;;+1/p-1/b2-1-;;
InChIKeyMBJFOILRLVOXMP-UAIGNFCESA-M
MW213.27 g/mol
LogP-4.44
Rot. Bonds2

About potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate

potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate (PubChem CID 173151140) has the molecular formula C7H12KNO4 and a molecular weight of 213.27 g/mol. Its IUPAC name is potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate.

Molecular Properties

Compound Namepotassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate
PubChem CID173151140
Molecular FormulaC7H12KNO4
Molecular Weight213.27 g/mol
Exact Mass213.04
IUPAC Namepotassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate
SMILESCN(C)C.O=C([O-])/C=C\C(=O)O.[K+]
InChIInChI=1S/C4H4O4.C3H9N.K/c5-3(6)1-2-4(7)8;1-4(2)3;/h1-2H,(H,5,6)(H,7,8);1-3H3;/q;;+1/p-1/b2-1-;;
InChIKeyMBJFOILRLVOXMP-UAIGNFCESA-M
XLogP-4.44
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 5-4.44
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-dimethylmethanamine;(Z)-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

diazanium;but-2-enedioate;but-2-enedioic acid
CID 158249134
azanium (E)-4-hydroxy-4-oxobut-2-enoate
CID 86747612
potassium;N,N-diethylethanamine;4-hydroxy-4-oxobut-2-enoate
CID 173150834
azanium;(Z)-4-hydroxy-4-oxobut-2-enoate;hydrate
CID 139697277
(Z)-4-hydroxy-4-oxobut-2-enoate;tetraethylphosphanium
CID 88517646
ethyl(trimethyl)azanium;(E)-4-hydroxy-4-oxobut-2-enoate
CID 87749446
(E)-but-2-enedioate
CID 5460307
potassium;(Z)-but-2-enedioate;tetramethylazanium
CID 87375053
dizinc bis(but-2-enedioate)
CID 173264948
tris((Z)-but-2-enedioate);bis(cobalt(3+))
CID 158794595
but-2-enedioate;manganese(2+)
CID 57354505
disodium;(Z)-but-2-enedioate
CID 6364608

Frequently Asked Questions

What is the IUPAC name of potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate?
The IUPAC name of potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate (CID 173151140) is potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate.
What is the SMILES notation for potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate?
The canonical SMILES for potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate is CN(C)C.O=C([O-])/C=C\C(=O)O.[K+].
What is the InChIKey of potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate?
The InChIKey is MBJFOILRLVOXMP-UAIGNFCESA-M. The full InChI is InChI=1S/C4H4O4.C3H9N.K/c5-3(6)1-2-4(7)8;1-4(2)3;/h1-2H,(H,5,6)(H,7,8);1-3H3;/q;;+1/p-1/b2-1-;;.
What are the key properties of potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate?
potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate has a molecular weight of 213.27 g/mol, XLogP of -4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;N,N-dimethylmethanamine;(Z)-4-hydroxy-4-oxobut-2-enoate is sourced from PubChem (CID 173151140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).