2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid

C10H21NO6S — CID 6455631

IUPAC2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid
SMILESC=C(C)C(=O)OCCN(CC)CC.O=S(=O)(O)O
InChIInChI=1S/C10H19NO2.H2O4S/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-5(2,3)4/h3,5-8H2,1-2,4H3;(H2,1,2,3,4)
InChIKeyABLGMNICDKSWSQ-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.79
Rot. Bonds6

About 2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid

2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid (PubChem CID 6455631) has the molecular formula C10H21NO6S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid
PubChem CID6455631
Molecular FormulaC10H21NO6S
Molecular Weight283.35 g/mol
Exact Mass283.11
IUPAC Name2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid
SMILESC=C(C)C(=O)OCCN(CC)CC.O=S(=O)(O)O
InChIInChI=1S/C10H19NO2.H2O4S/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-5(2,3)4/h3,5-8H2,1-2,4H3;(H2,1,2,3,4)
InChIKeyABLGMNICDKSWSQ-UHFFFAOYSA-N
XLogP0.79
TPSA104.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric 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 2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid?
The IUPAC name of 2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid (CID 6455631) is 2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid.
What is the SMILES notation for 2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid?
The canonical SMILES for 2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid is C=C(C)C(=O)OCCN(CC)CC.O=S(=O)(O)O.
What is the InChIKey of 2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid?
The InChIKey is ABLGMNICDKSWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.H2O4S/c1-5-11(6-2)7-8-13-10(12)9(3)4;1-5(2,3)4/h3,5-8H2,1-2,4H3;(H2,1,2,3,4).
What are the key properties of 2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid?
2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid has a molecular weight of 283.35 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-methylprop-2-enoate;sulfuric acid is sourced from PubChem (CID 6455631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).