(2S)-4-amino-2-fluorobutanoic acid

C4H8FNO2 — CID 7016346

IUPAC(2S)-4-amino-2-fluorobutanoic acid
SMILESNCC[C@H](F)C(=O)O
InChIInChI=1S/C4H8FNO2/c5-3(1-2-6)4(7)8/h3H,1-2,6H2,(H,7,8)/t3-/m0/s1
InChIKeyASXBTBJGHQPOPY-VKHMYHEASA-N
MW121.11 g/mol
LogP-0.24
Rot. Bonds3

About (2S)-4-amino-2-fluorobutanoic acid

(2S)-4-amino-2-fluorobutanoic acid (PubChem CID 7016346) has the molecular formula C4H8FNO2 and a molecular weight of 121.11 g/mol. Its IUPAC name is (2S)-4-amino-2-fluorobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-fluorobutanoic acid
PubChem CID7016346
Molecular FormulaC4H8FNO2
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Name(2S)-4-amino-2-fluorobutanoic acid
SMILESNCC[C@H](F)C(=O)O
InChIInChI=1S/C4H8FNO2/c5-3(1-2-6)4(7)8/h3H,1-2,6H2,(H,7,8)/t3-/m0/s1
InChIKeyASXBTBJGHQPOPY-VKHMYHEASA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-fluorobutanoic acid?
The IUPAC name of (2S)-4-amino-2-fluorobutanoic acid (CID 7016346) is (2S)-4-amino-2-fluorobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-fluorobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-fluorobutanoic acid is NCC[C@H](F)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-fluorobutanoic acid?
The InChIKey is ASXBTBJGHQPOPY-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8FNO2/c5-3(1-2-6)4(7)8/h3H,1-2,6H2,(H,7,8)/t3-/m0/s1.
What are the key properties of (2S)-4-amino-2-fluorobutanoic acid?
(2S)-4-amino-2-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 (2S)-4-amino-2-fluorobutanoic acid is sourced from PubChem (CID 7016346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).