(Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid

C8H12FNO3 — CID 175109757

IUPAC(Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid
SMILESC/C=C\CC(NC(=O)CF)C(=O)O
InChIInChI=1S/C8H12FNO3/c1-2-3-4-6(8(12)13)10-7(11)5-9/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)/b3-2-
InChIKeyIVEXCJHLJRWYPG-IHWYPQMZSA-N
MW189.19 g/mol
LogP0.49
Rot. Bonds5

About (Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid

(Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid (PubChem CID 175109757) has the molecular formula C8H12FNO3 and a molecular weight of 189.19 g/mol. Its IUPAC name is (Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid.

Molecular Properties

Compound Name(Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid
PubChem CID175109757
Molecular FormulaC8H12FNO3
Molecular Weight189.19 g/mol
Exact Mass189.08
IUPAC Name(Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid
SMILESC/C=C\CC(NC(=O)CF)C(=O)O
InChIInChI=1S/C8H12FNO3/c1-2-3-4-6(8(12)13)10-7(11)5-9/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)/b3-2-
InChIKeyIVEXCJHLJRWYPG-IHWYPQMZSA-N
XLogP0.49
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-[(2-fluoroacetyl)amino]hex-4-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 (Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid?
The IUPAC name of (Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid (CID 175109757) is (Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid.
What is the SMILES notation for (Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid?
The canonical SMILES for (Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid is C/C=C\CC(NC(=O)CF)C(=O)O.
What is the InChIKey of (Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid?
The InChIKey is IVEXCJHLJRWYPG-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H12FNO3/c1-2-3-4-6(8(12)13)10-7(11)5-9/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)/b3-2-.
What are the key properties of (Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid?
(Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid has a molecular weight of 189.19 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(2-fluoroacetyl)amino]hex-4-enoic acid is sourced from PubChem (CID 175109757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).