2-amino-3-fluorobut-3-enoic acid

C4H6FNO2 — CID 3081008

IUPAC2-amino-3-fluorobut-3-enoic acid
SMILESC=C(F)C(N)C(=O)O
InChIInChI=1S/C4H6FNO2/c1-2(5)3(6)4(7)8/h3H,1,6H2,(H,7,8)
InChIKeyHMOXWHQSNHKKFM-UHFFFAOYSA-N
MW119.09 g/mol
LogP-0.12
Rot. Bonds2

About 2-amino-3-fluorobut-3-enoic acid

2-amino-3-fluorobut-3-enoic acid (PubChem CID 3081008) has the molecular formula C4H6FNO2 and a molecular weight of 119.09 g/mol. Its IUPAC name is 2-amino-3-fluorobut-3-enoic acid.

Molecular Properties

Compound Name2-amino-3-fluorobut-3-enoic acid
PubChem CID3081008
Molecular FormulaC4H6FNO2
Molecular Weight119.09 g/mol
Exact Mass119.04
IUPAC Name2-amino-3-fluorobut-3-enoic acid
SMILESC=C(F)C(N)C(=O)O
InChIInChI=1S/C4H6FNO2/c1-2(5)3(6)4(7)8/h3H,1,6H2,(H,7,8)
InChIKeyHMOXWHQSNHKKFM-UHFFFAOYSA-N
XLogP-0.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.09
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-methylbut-3-enoic acid
CID 11332562
(2S)-2-amino-4-fluoropent-4-enoic acid
CID 11240496
2-amino-4,4,4-trifluoro-3-oxobutanoic acid
CID 23453164
4-fluoro-3-hydroxy-2-oxopent-4-enoic acid
CID 123209234
3-amino-5-fluorohex-5-enoic acid
CID 89120212
3-amino-4-hydroxypent-4-en-2-one;hydrochloride
CID 171991279
2-aminopropanedioic acid;2-(ethenylamino)propanedioic acid
CID 87392583
(2S,3Z)-2-amino-3-methylhexa-3,5-dienoic acid
CID 153456154
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-fluoroprop-2-enoic acid;hydrochloride
CID 87142297
(2S)-2-aminopropanoic acid
CID 5950
(2S)-2-aminopropanoic acid
CID 18446182

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluorobut-3-enoic acid?
The IUPAC name of 2-amino-3-fluorobut-3-enoic acid (CID 3081008) is 2-amino-3-fluorobut-3-enoic acid.
What is the SMILES notation for 2-amino-3-fluorobut-3-enoic acid?
The canonical SMILES for 2-amino-3-fluorobut-3-enoic acid is C=C(F)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-fluorobut-3-enoic acid?
The InChIKey is HMOXWHQSNHKKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FNO2/c1-2(5)3(6)4(7)8/h3H,1,6H2,(H,7,8).
What are the key properties of 2-amino-3-fluorobut-3-enoic acid?
2-amino-3-fluorobut-3-enoic acid has a molecular weight of 119.09 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluorobut-3-enoic acid is sourced from PubChem (CID 3081008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).