4-amino-5-fluoropent-2-enoic acid

C5H8FNO2 — CID 53426360

IUPAC4-amino-5-fluoropent-2-enoic acid
SMILESNC(C=CC(=O)O)CF
InChIInChI=1S/C5H8FNO2/c6-3-4(7)1-2-5(8)9/h1-2,4H,3,7H2,(H,8,9)
InChIKeyKEPTZGBJKIMQGD-UHFFFAOYSA-N
MW133.12 g/mol
LogP-0.08
Rot. Bonds3

About 4-amino-5-fluoropent-2-enoic acid

4-amino-5-fluoropent-2-enoic acid (PubChem CID 53426360) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 4-amino-5-fluoropent-2-enoic acid.

Molecular Properties

Compound Name4-amino-5-fluoropent-2-enoic acid
PubChem CID53426360
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name4-amino-5-fluoropent-2-enoic acid
SMILESNC(C=CC(=O)O)CF
InChIInChI=1S/C5H8FNO2/c6-3-4(7)1-2-5(8)9/h1-2,4H,3,7H2,(H,8,9)
InChIKeyKEPTZGBJKIMQGD-UHFFFAOYSA-N
XLogP-0.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoropent-2-enoic acid?
The IUPAC name of 4-amino-5-fluoropent-2-enoic acid (CID 53426360) is 4-amino-5-fluoropent-2-enoic acid.
What is the SMILES notation for 4-amino-5-fluoropent-2-enoic acid?
The canonical SMILES for 4-amino-5-fluoropent-2-enoic acid is NC(C=CC(=O)O)CF.
What is the InChIKey of 4-amino-5-fluoropent-2-enoic acid?
The InChIKey is KEPTZGBJKIMQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-3-4(7)1-2-5(8)9/h1-2,4H,3,7H2,(H,8,9).
What are the key properties of 4-amino-5-fluoropent-2-enoic acid?
4-amino-5-fluoropent-2-enoic acid has a molecular weight of 133.12 g/mol, XLogP of -0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoropent-2-enoic acid is sourced from PubChem (CID 53426360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).