4-amino-2-(fluoromethyl)butanoic acid

C5H10FNO2 — CID 83815073

IUPAC4-amino-2-(fluoromethyl)butanoic acid
SMILESNCCC(CF)C(=O)O
InChIInChI=1S/C5H10FNO2/c6-3-4(1-2-7)5(8)9/h4H,1-3,7H2,(H,8,9)
InChIKeyTULLIQHETREKBA-UHFFFAOYSA-N
MW135.14 g/mol
LogP0.01
Rot. Bonds4

About 4-amino-2-(fluoromethyl)butanoic acid

4-amino-2-(fluoromethyl)butanoic acid (PubChem CID 83815073) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is 4-amino-2-(fluoromethyl)butanoic acid.

Molecular Properties

Compound Name4-amino-2-(fluoromethyl)butanoic acid
PubChem CID83815073
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name4-amino-2-(fluoromethyl)butanoic acid
SMILESNCCC(CF)C(=O)O
InChIInChI=1S/C5H10FNO2/c6-3-4(1-2-7)5(8)9/h4H,1-3,7H2,(H,8,9)
InChIKeyTULLIQHETREKBA-UHFFFAOYSA-N
XLogP0.01
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-3-fluoropropanoic acid
CID 20508331
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
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2-(2-aminoethyl)-4-hydroxypentanoic acid
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(2S)-4-amino-2-fluorobutanoic acid
CID 7016346
4-amino-2-(ethoxymethyl)butanoic acid
CID 104680964
2-(2-aminoethyl)nonanoic acid
CID 104680899
2-(2-aminoethyl)octadecanoic acid
CID 54025424
4-amino-2-[(2,6-difluorophenyl)methyl]butanoic acid
CID 114935323
2-(2-aminoethyl)-4-(2-aminoethylamino)-4-oxobutanoic acid
CID 141092799
2-(2-aminoethyl)hept-6-enoic acid
CID 104681057
4-amino-2-benzylbutanoic acid
CID 16679765
2-(2-aminoethyl)-4-phenylsulfanylbutanoic acid
CID 104680987

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(fluoromethyl)butanoic acid?
The IUPAC name of 4-amino-2-(fluoromethyl)butanoic acid (CID 83815073) is 4-amino-2-(fluoromethyl)butanoic acid.
What is the SMILES notation for 4-amino-2-(fluoromethyl)butanoic acid?
The canonical SMILES for 4-amino-2-(fluoromethyl)butanoic acid is NCCC(CF)C(=O)O.
What is the InChIKey of 4-amino-2-(fluoromethyl)butanoic acid?
The InChIKey is TULLIQHETREKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c6-3-4(1-2-7)5(8)9/h4H,1-3,7H2,(H,8,9).
What are the key properties of 4-amino-2-(fluoromethyl)butanoic acid?
4-amino-2-(fluoromethyl)butanoic acid has a molecular weight of 135.14 g/mol, XLogP of 0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(fluoromethyl)butanoic acid is sourced from PubChem (CID 83815073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).