4-[ethyl(fluoro)amino]-2-methylbutanoic acid

C7H14FNO2 — CID 143120915

IUPAC4-[ethyl(fluoro)amino]-2-methylbutanoic acid
SMILESCCN(F)CCC(C)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-3-9(8)5-4-6(2)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyQCDJYNGLFROLHN-UHFFFAOYSA-N
MW163.19 g/mol
LogP1.30
Rot. Bonds5

About 4-[ethyl(fluoro)amino]-2-methylbutanoic acid

4-[ethyl(fluoro)amino]-2-methylbutanoic acid (PubChem CID 143120915) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 4-[ethyl(fluoro)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[ethyl(fluoro)amino]-2-methylbutanoic acid
PubChem CID143120915
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name4-[ethyl(fluoro)amino]-2-methylbutanoic acid
SMILESCCN(F)CCC(C)C(=O)O
InChIInChI=1S/C7H14FNO2/c1-3-9(8)5-4-6(2)7(10)11/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyQCDJYNGLFROLHN-UHFFFAOYSA-N
XLogP1.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[ethyl(fluoro)amino]-2-methylbutanoic 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-[ethyl(fluoro)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[ethyl(fluoro)amino]-2-methylbutanoic acid (CID 143120915) is 4-[ethyl(fluoro)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[ethyl(fluoro)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[ethyl(fluoro)amino]-2-methylbutanoic acid is CCN(F)CCC(C)C(=O)O.
What is the InChIKey of 4-[ethyl(fluoro)amino]-2-methylbutanoic acid?
The InChIKey is QCDJYNGLFROLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-3-9(8)5-4-6(2)7(10)11/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 4-[ethyl(fluoro)amino]-2-methylbutanoic acid?
4-[ethyl(fluoro)amino]-2-methylbutanoic acid has a molecular weight of 163.19 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(fluoro)amino]-2-methylbutanoic acid is sourced from PubChem (CID 143120915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).