3-amino-2-ethylbut-2-enoic acid

C6H11NO2 — CID 67919707

IUPAC3-amino-2-ethylbut-2-enoic acid
SMILESCCC(C(=O)O)=C(C)N
InChIInChI=1S/C6H11NO2/c1-3-5(4(2)7)6(8)9/h3,7H2,1-2H3,(H,8,9)
InChIKeyUYPQCGHDGAGZHI-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.71
Rot. Bonds2

About 3-amino-2-ethylbut-2-enoic acid

3-amino-2-ethylbut-2-enoic acid (PubChem CID 67919707) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-amino-2-ethylbut-2-enoic acid.

Molecular Properties

Compound Name3-amino-2-ethylbut-2-enoic acid
PubChem CID67919707
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-amino-2-ethylbut-2-enoic acid
SMILESCCC(C(=O)O)=C(C)N
InChIInChI=1S/C6H11NO2/c1-3-5(4(2)7)6(8)9/h3,7H2,1-2H3,(H,8,9)
InChIKeyUYPQCGHDGAGZHI-UHFFFAOYSA-N
XLogP0.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-2-ethylbut-2-enoic 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 3-amino-2-ethylbut-2-enoic acid?
The IUPAC name of 3-amino-2-ethylbut-2-enoic acid (CID 67919707) is 3-amino-2-ethylbut-2-enoic acid.
What is the SMILES notation for 3-amino-2-ethylbut-2-enoic acid?
The canonical SMILES for 3-amino-2-ethylbut-2-enoic acid is CCC(C(=O)O)=C(C)N.
What is the InChIKey of 3-amino-2-ethylbut-2-enoic acid?
The InChIKey is UYPQCGHDGAGZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-3-5(4(2)7)6(8)9/h3,7H2,1-2H3,(H,8,9).
What are the key properties of 3-amino-2-ethylbut-2-enoic acid?
3-amino-2-ethylbut-2-enoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-ethylbut-2-enoic acid is sourced from PubChem (CID 67919707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).