(2S)-2-azaniumyl-4-fluorobutanoate

C4H8FNO2 — CID 10486843

IUPAC(2S)-2-azaniumyl-4-fluorobutanoate
SMILES[NH3+][C@@H](CCF)C(=O)[O-]
InChIInChI=1S/C4H8FNO2/c5-2-1-3(6)4(7)8/h3H,1-2,6H2,(H,7,8)/t3-/m0/s1
InChIKeyLJYFXGDRJCHELF-VKHMYHEASA-N
MW121.11 g/mol
LogP-2.29
Rot. Bonds3

About (2S)-2-azaniumyl-4-fluorobutanoate

(2S)-2-azaniumyl-4-fluorobutanoate (PubChem CID 10486843) has the molecular formula C4H8FNO2 and a molecular weight of 121.11 g/mol. Its IUPAC name is (2S)-2-azaniumyl-4-fluorobutanoate.

Molecular Properties

Compound Name(2S)-2-azaniumyl-4-fluorobutanoate
PubChem CID10486843
Molecular FormulaC4H8FNO2
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Name(2S)-2-azaniumyl-4-fluorobutanoate
SMILES[NH3+][C@@H](CCF)C(=O)[O-]
InChIInChI=1S/C4H8FNO2/c5-2-1-3(6)4(7)8/h3H,1-2,6H2,(H,7,8)/t3-/m0/s1
InChIKeyLJYFXGDRJCHELF-VKHMYHEASA-N
XLogP-2.29
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 5-2.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-azaniumyl-4-sulfanylbutanoate
CID 6971069
(2S,5S)-2,6-bis(azaniumyl)-5-fluorohexanoate
CID 7019593
2-azaniumyl-5-hydroxy-5-oxopentanoate
CID 57397101
(2S)-2-azaniumyl-5-methoxy-5-oxopentanoate
CID 6998933
2,6-bis(azaniumyl)hexanoate
CID 5242389
(2S)-2-azaniumyl-4-(diaminomethylideneazaniumyloxy)butanoate
CID 36688185
(2S)-2-azaniumyl-4-[(2R)-2-azaniumyl-2-carboxylatoethyl]sulfanylbutanoate
CID 25243997
2-azaniumyl-4-methylsulfanylbutanoate
CID 5255805
(2S,5R)-2,6-bis(azaniumyl)-5-hydroxyhexanoate chloride
CID 139063890
(2S)-2-azaniumyl-6-oxohexanoate
CID 36688062
(2S)-2-azaniumyl-4-methylsulfonylbutanoate
CID 6994316
2-azaniumyl-4-[hydroxy(oxido)phosphoryl]butanoate
CID 74551796

Frequently Asked Questions

What is the IUPAC name of (2S)-2-azaniumyl-4-fluorobutanoate?
The IUPAC name of (2S)-2-azaniumyl-4-fluorobutanoate (CID 10486843) is (2S)-2-azaniumyl-4-fluorobutanoate.
What is the SMILES notation for (2S)-2-azaniumyl-4-fluorobutanoate?
The canonical SMILES for (2S)-2-azaniumyl-4-fluorobutanoate is [NH3+][C@@H](CCF)C(=O)[O-].
What is the InChIKey of (2S)-2-azaniumyl-4-fluorobutanoate?
The InChIKey is LJYFXGDRJCHELF-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8FNO2/c5-2-1-3(6)4(7)8/h3H,1-2,6H2,(H,7,8)/t3-/m0/s1.
What are the key properties of (2S)-2-azaniumyl-4-fluorobutanoate?
(2S)-2-azaniumyl-4-fluorobutanoate has a molecular weight of 121.11 g/mol, XLogP of -2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azaniumyl-4-fluorobutanoate is sourced from PubChem (CID 10486843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).