4-amino-2-fluoro-3-methylbutanoic acid

C5H10FNO2 — CID 138987586

IUPAC4-amino-2-fluoro-3-methylbutanoic acid
SMILESCC(CN)C(F)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-3(2-7)4(6)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)
InChIKeyZDIYIUYHQGBXKC-UHFFFAOYSA-N
MW135.14 g/mol
LogP0.00
Rot. Bonds3

About 4-amino-2-fluoro-3-methylbutanoic acid

4-amino-2-fluoro-3-methylbutanoic acid (PubChem CID 138987586) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is 4-amino-2-fluoro-3-methylbutanoic acid.

Molecular Properties

Compound Name4-amino-2-fluoro-3-methylbutanoic acid
PubChem CID138987586
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name4-amino-2-fluoro-3-methylbutanoic acid
SMILESCC(CN)C(F)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-3(2-7)4(6)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)
InChIKeyZDIYIUYHQGBXKC-UHFFFAOYSA-N
XLogP0.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-4-amino-2-(aminomethyl)-3-methylbutanoic acid
CID 175262598
2-fluoro-5-methoxy-3-methylpentanoic acid
CID 81357953
2-fluoro-3-methyl-4-phenylbutanoic acid
CID 81357532
(3S)-2,3-dimethylbutane-1,4-diamine
CID 87997033
3-amino-2-propan-2-ylsulfanylpropanoic acid
CID 64695846
alumane;2-fluoropropanoic acid
CID 173229818
(2S,3S)-2-amino-5-fluoro-3-methylpentanoic acid
CID 54172835
3-amino-2-methylpropanamide;3-amino-2-methylpropanoic acid
CID 161117685
3-amino-2-(aminomethyl)butanoic acid
CID 87574083
1-amino-3-fluoro-4-methylpentan-2-one
CID 84648185
3-amino-2,3,3-trideuterio-2-methylpropanoic acid
CID 131869355
acetic acid;copper;2-methylpropan-1-amine
CID 88782115

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-3-methylbutanoic acid?
The IUPAC name of 4-amino-2-fluoro-3-methylbutanoic acid (CID 138987586) is 4-amino-2-fluoro-3-methylbutanoic acid.
What is the SMILES notation for 4-amino-2-fluoro-3-methylbutanoic acid?
The canonical SMILES for 4-amino-2-fluoro-3-methylbutanoic acid is CC(CN)C(F)C(=O)O.
What is the InChIKey of 4-amino-2-fluoro-3-methylbutanoic acid?
The InChIKey is ZDIYIUYHQGBXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-3(2-7)4(6)5(8)9/h3-4H,2,7H2,1H3,(H,8,9).
What are the key properties of 4-amino-2-fluoro-3-methylbutanoic acid?
4-amino-2-fluoro-3-methylbutanoic acid has a molecular weight of 135.14 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-3-methylbutanoic acid is sourced from PubChem (CID 138987586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).