(Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid

C10H18N2O6 — CID 155072145

IUPAC(Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid
SMILESC/C=C(/C(N)=O)N(C)C.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C6H12N2O.C4H6O5/c1-4-5(6(7)9)8(2)3;5-2(4(8)9)1-3(6)7/h4H,1-3H3,(H2,7,9);2,5H,1H2,(H,6,7)(H,8,9)/b5-4-;
InChIKeyFBYCHWWQJUJYRL-MKWAYWHRSA-N
MW262.26 g/mol
LogP-1.16
Rot. Bonds5

About (Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid

(Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid (PubChem CID 155072145) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is (Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid.

Molecular Properties

Compound Name(Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid
PubChem CID155072145
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name(Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid
SMILESC/C=C(/C(N)=O)N(C)C.O=C(O)CC(O)C(=O)O
InChIInChI=1S/C6H12N2O.C4H6O5/c1-4-5(6(7)9)8(2)3;5-2(4(8)9)1-3(6)7/h4H,1-3H3,(H2,7,9);2,5H,1H2,(H,6,7)(H,8,9)/b5-4-;
InChIKeyFBYCHWWQJUJYRL-MKWAYWHRSA-N
XLogP-1.16
TPSA141.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid?
The IUPAC name of (Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid (CID 155072145) is (Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid.
What is the SMILES notation for (Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid?
The canonical SMILES for (Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid is C/C=C(/C(N)=O)N(C)C.O=C(O)CC(O)C(=O)O.
What is the InChIKey of (Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid?
The InChIKey is FBYCHWWQJUJYRL-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H12N2O.C4H6O5/c1-4-5(6(7)9)8(2)3;5-2(4(8)9)1-3(6)7/h4H,1-3H3,(H2,7,9);2,5H,1H2,(H,6,7)(H,8,9)/b5-4-;.
What are the key properties of (Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid?
(Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid has a molecular weight of 262.26 g/mol, XLogP of -1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(dimethylamino)but-2-enamide;2-hydroxybutanedioic acid is sourced from PubChem (CID 155072145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).