8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid

C13H22N2O3 — CID 89351427

IUPAC8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid
SMILESC=CNC(=C)C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C13H22N2O3/c1-3-14-11(2)13(18)15-10-8-6-4-5-7-9-12(16)17/h3,14H,1-2,4-10H2,(H,15,18)(H,16,17)
InChIKeyWAFVLJMOBFPOIL-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.77
Rot. Bonds11

About 8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid

8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid (PubChem CID 89351427) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid.

Molecular Properties

Compound Name8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid
PubChem CID89351427
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid
SMILESC=CNC(=C)C(=O)NCCCCCCCC(=O)O
InChIInChI=1S/C13H22N2O3/c1-3-14-11(2)13(18)15-10-8-6-4-5-7-9-12(16)17/h3,14H,1-2,4-10H2,(H,15,18)(H,16,17)
InChIKeyWAFVLJMOBFPOIL-UHFFFAOYSA-N
XLogP1.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 8-[2-(ethenylamino)prop-2-enoylamino]octanoic 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 8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid?
The IUPAC name of 8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid (CID 89351427) is 8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid.
What is the SMILES notation for 8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid?
The canonical SMILES for 8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid is C=CNC(=C)C(=O)NCCCCCCCC(=O)O.
What is the InChIKey of 8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid?
The InChIKey is WAFVLJMOBFPOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-14-11(2)13(18)15-10-8-6-4-5-7-9-12(16)17/h3,14H,1-2,4-10H2,(H,15,18)(H,16,17).
What are the key properties of 8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid?
8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.77, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(ethenylamino)prop-2-enoylamino]octanoic acid is sourced from PubChem (CID 89351427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).