4-(3-fluoropropylamino)butanoic acid

C7H14FNO2 — CID 81113756

IUPAC4-(3-fluoropropylamino)butanoic acid
SMILESO=C(O)CCCNCCCF
InChIInChI=1S/C7H14FNO2/c8-4-2-6-9-5-1-3-7(10)11/h9H,1-6H2,(H,10,11)
InChIKeyVWENRRCHQDXODK-UHFFFAOYSA-N
MW163.19 g/mol
LogP0.80
Rot. Bonds7

About 4-(3-fluoropropylamino)butanoic acid

4-(3-fluoropropylamino)butanoic acid (PubChem CID 81113756) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 4-(3-fluoropropylamino)butanoic acid.

Molecular Properties

Compound Name4-(3-fluoropropylamino)butanoic acid
PubChem CID81113756
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name4-(3-fluoropropylamino)butanoic acid
SMILESO=C(O)CCCNCCCF
InChIInChI=1S/C7H14FNO2/c8-4-2-6-9-5-1-3-7(10)11/h9H,1-6H2,(H,10,11)
InChIKeyVWENRRCHQDXODK-UHFFFAOYSA-N
XLogP0.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3-fluoropropylamino)butanoic 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 4-(3-fluoropropylamino)butanoic acid?
The IUPAC name of 4-(3-fluoropropylamino)butanoic acid (CID 81113756) is 4-(3-fluoropropylamino)butanoic acid.
What is the SMILES notation for 4-(3-fluoropropylamino)butanoic acid?
The canonical SMILES for 4-(3-fluoropropylamino)butanoic acid is O=C(O)CCCNCCCF.
What is the InChIKey of 4-(3-fluoropropylamino)butanoic acid?
The InChIKey is VWENRRCHQDXODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c8-4-2-6-9-5-1-3-7(10)11/h9H,1-6H2,(H,10,11).
What are the key properties of 4-(3-fluoropropylamino)butanoic acid?
4-(3-fluoropropylamino)butanoic acid has a molecular weight of 163.19 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropylamino)butanoic acid is sourced from PubChem (CID 81113756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).