4-(2-fluoroethylamino)butanoic acid

C6H12FNO2 — CID 80694624

IUPAC4-(2-fluoroethylamino)butanoic acid
SMILESO=C(O)CCCNCCF
InChIInChI=1S/C6H12FNO2/c7-3-5-8-4-1-2-6(9)10/h8H,1-5H2,(H,9,10)
InChIKeyWBPMISPCTQSKJA-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.41
Rot. Bonds6

About 4-(2-fluoroethylamino)butanoic acid

4-(2-fluoroethylamino)butanoic acid (PubChem CID 80694624) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is 4-(2-fluoroethylamino)butanoic acid.

Molecular Properties

Compound Name4-(2-fluoroethylamino)butanoic acid
PubChem CID80694624
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC Name4-(2-fluoroethylamino)butanoic acid
SMILESO=C(O)CCCNCCF
InChIInChI=1S/C6H12FNO2/c7-3-5-8-4-1-2-6(9)10/h8H,1-5H2,(H,9,10)
InChIKeyWBPMISPCTQSKJA-UHFFFAOYSA-N
XLogP0.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Acetamidobutyric acid
CID 18189
4-((2-Carboxyethyl)amino)butanoic acid
CID 2572
4-(Methylamino)butyric acid
CID 70703
4-(Methylamino)butyric acid hydrochloride
CID 12626654
Isoputreanine
CID 171763
4-(Ethylamino)butanoic acid hydrochloride
CID 71357190
(R)-4-Amino-3-fluorobutanoic acid
CID 101453783
4-Amino-2-fluorobutanoic acid
CID 2735915
4-Amino-3-fluorobutanoic acid
CID 12510837
3-Fluoropyrrolidine-3-carboxylic acid
CID 55300604
4-(2,2,2-Trifluoroacetamido)butanoic acid
CID 303592
4-(Isopropylamino)butanoic acid
CID 317001

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethylamino)butanoic acid?
The IUPAC name of 4-(2-fluoroethylamino)butanoic acid (CID 80694624) is 4-(2-fluoroethylamino)butanoic acid.
What is the SMILES notation for 4-(2-fluoroethylamino)butanoic acid?
The canonical SMILES for 4-(2-fluoroethylamino)butanoic acid is O=C(O)CCCNCCF.
What is the InChIKey of 4-(2-fluoroethylamino)butanoic acid?
The InChIKey is WBPMISPCTQSKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c7-3-5-8-4-1-2-6(9)10/h8H,1-5H2,(H,9,10).
What are the key properties of 4-(2-fluoroethylamino)butanoic acid?
4-(2-fluoroethylamino)butanoic acid has a molecular weight of 149.16 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethylamino)butanoic acid is sourced from PubChem (CID 80694624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).