4-amino-3-fluorobutanoic acid

C4H8FNO2 — CID 12510837

IUPAC4-amino-3-fluorobutanoic acid
SMILESNCC(F)CC(=O)O
InChIInChI=1S/C4H8FNO2/c5-3(2-6)1-4(7)8/h3H,1-2,6H2,(H,7,8)
InChIKeyUNJUEKLVLCDYIR-UHFFFAOYSA-N
MW121.11 g/mol
LogP-0.24
Rot. Bonds3

About 4-amino-3-fluorobutanoic acid

4-amino-3-fluorobutanoic acid (PubChem CID 12510837) has the molecular formula C4H8FNO2 and a molecular weight of 121.11 g/mol. Its IUPAC name is 4-amino-3-fluorobutanoic acid.

Molecular Properties

Compound Name4-amino-3-fluorobutanoic acid
PubChem CID12510837
Molecular FormulaC4H8FNO2
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Name4-amino-3-fluorobutanoic acid
SMILESNCC(F)CC(=O)O
InChIInChI=1S/C4H8FNO2/c5-3(2-6)1-4(7)8/h3H,1-2,6H2,(H,7,8)
InChIKeyUNJUEKLVLCDYIR-UHFFFAOYSA-N
XLogP-0.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Gamma-Aminobutyric Acid
CID 119
4-Ammoniobutanoate
CID 6992099
gamma-Aminobutyrate
CID 5460232
gamma-Aminobutyric acid hydrochloride
CID 210329
4-Amino-5-fluoropentanoic acid
CID 130363
4-Amino-3-methylbutanoic acid
CID 3539719
4-Amino-2-methylbutanoic acid
CID 3759025
4-Amino(~2~H_6_)butanoic acid
CID 12405755
4-Amino(2,2-~2~H_2_)butanoic acid
CID 57685050
4-(~15~N)Aminobutanoic acid
CID 71310334
(3R)-3-(aminomethyl)-4,4,4-trifluorobutanoic acid
CID 96739926
Butanoic acid, 4-amino-2-methyl-, (2S)-
CID 928193

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluorobutanoic acid?
The IUPAC name of 4-amino-3-fluorobutanoic acid (CID 12510837) is 4-amino-3-fluorobutanoic acid.
What is the SMILES notation for 4-amino-3-fluorobutanoic acid?
The canonical SMILES for 4-amino-3-fluorobutanoic acid is NCC(F)CC(=O)O.
What is the InChIKey of 4-amino-3-fluorobutanoic acid?
The InChIKey is UNJUEKLVLCDYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO2/c5-3(2-6)1-4(7)8/h3H,1-2,6H2,(H,7,8).
What are the key properties of 4-amino-3-fluorobutanoic acid?
4-amino-3-fluorobutanoic acid has a molecular weight of 121.11 g/mol, XLogP of -0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluorobutanoic acid is sourced from PubChem (CID 12510837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).