(2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid

C9H19NO6S — CID 159540941

IUPAC(2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid
SMILESC=CC(=O)OCC(N)(CC)CC.O=S(=O)(O)O
InChIInChI=1S/C9H17NO2.H2O4S/c1-4-8(11)12-7-9(10,5-2)6-3;1-5(2,3)4/h4H,1,5-7,10H2,2-3H3;(H2,1,2,3,4)
InChIKeyMEEVDQMYYWPHTG-UHFFFAOYSA-N
MW269.32 g/mol
LogP0.58
Rot. Bonds5

About (2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid

(2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid (PubChem CID 159540941) has the molecular formula C9H19NO6S and a molecular weight of 269.32 g/mol. Its IUPAC name is (2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid.

Molecular Properties

Compound Name(2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid
PubChem CID159540941
Molecular FormulaC9H19NO6S
Molecular Weight269.32 g/mol
Exact Mass269.09
IUPAC Name(2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid
SMILESC=CC(=O)OCC(N)(CC)CC.O=S(=O)(O)O
InChIInChI=1S/C9H17NO2.H2O4S/c1-4-8(11)12-7-9(10,5-2)6-3;1-5(2,3)4/h4H,1,5-7,10H2,2-3H3;(H2,1,2,3,4)
InChIKeyMEEVDQMYYWPHTG-UHFFFAOYSA-N
XLogP0.58
TPSA126.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.58
H-Bond Donors ≤ 53
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-amino-2-ethylbutyl) prop-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-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid?
The IUPAC name of (2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid (CID 159540941) is (2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid.
What is the SMILES notation for (2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid?
The canonical SMILES for (2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid is C=CC(=O)OCC(N)(CC)CC.O=S(=O)(O)O.
What is the InChIKey of (2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid?
The InChIKey is MEEVDQMYYWPHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2.H2O4S/c1-4-8(11)12-7-9(10,5-2)6-3;1-5(2,3)4/h4H,1,5-7,10H2,2-3H3;(H2,1,2,3,4).
What are the key properties of (2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid?
(2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid has a molecular weight of 269.32 g/mol, XLogP of 0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-ethylbutyl) prop-2-enoate;sulfuric acid is sourced from PubChem (CID 159540941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).