(Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid

C10H18N2O3 — CID 39202606

IUPAC(Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
SMILESC/C(C(=O)O)=C(\C)C(=O)NCCN(C)C
InChIInChI=1S/C10H18N2O3/c1-7(8(2)10(14)15)9(13)11-5-6-12(3)4/h5-6H2,1-4H3,(H,11,13)(H,14,15)/b8-7-
InChIKeyFYJPLNVAXHJGCG-FPLPWBNLSA-N
MW214.26 g/mol
LogP0.09
Rot. Bonds5

About (Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid

(Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid (PubChem CID 39202606) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
PubChem CID39202606
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
SMILESC/C(C(=O)O)=C(\C)C(=O)NCCN(C)C
InChIInChI=1S/C10H18N2O3/c1-7(8(2)10(14)15)9(13)11-5-6-12(3)4/h5-6H2,1-4H3,(H,11,13)(H,14,15)/b8-7-
InChIKeyFYJPLNVAXHJGCG-FPLPWBNLSA-N
XLogP0.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid (CID 39202606) is (Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid is C/C(C(=O)O)=C(\C)C(=O)NCCN(C)C.
What is the InChIKey of (Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid?
The InChIKey is FYJPLNVAXHJGCG-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(8(2)10(14)15)9(13)11-5-6-12(3)4/h5-6H2,1-4H3,(H,11,13)(H,14,15)/b8-7-.
What are the key properties of (Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid?
(Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid has a molecular weight of 214.26 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-(dimethylamino)ethylamino]-2,3-dimethyl-4-oxobut-2-enoic acid is sourced from PubChem (CID 39202606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).