3-amino-4-fluorobutanoate

C4H7FNO2- — CID 21121473

IUPAC3-amino-4-fluorobutanoate
SMILESNC(CF)CC(=O)[O-]
InChIInChI=1S/C4H8FNO2/c5-2-3(6)1-4(7)8/h3H,1-2,6H2,(H,7,8)/p-1
InChIKeyHKFNXEFUGVQTNQ-UHFFFAOYSA-M
MW120.10 g/mol
LogP-1.58
Rot. Bonds3

About 3-amino-4-fluorobutanoate

3-amino-4-fluorobutanoate (PubChem CID 21121473) has the molecular formula C4H7FNO2- and a molecular weight of 120.10 g/mol. Its IUPAC name is 3-amino-4-fluorobutanoate.

Molecular Properties

Compound Name3-amino-4-fluorobutanoate
PubChem CID21121473
Molecular FormulaC4H7FNO2-
Molecular Weight120.10 g/mol
Exact Mass120.05
IUPAC Name3-amino-4-fluorobutanoate
SMILESNC(CF)CC(=O)[O-]
InChIInChI=1S/C4H8FNO2/c5-2-3(6)1-4(7)8/h3H,1-2,6H2,(H,7,8)/p-1
InChIKeyHKFNXEFUGVQTNQ-UHFFFAOYSA-M
XLogP-1.58
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.10
LogP ≤ 5-1.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminobutanedioate
CID 4519554
(2R)-2-amino-3-fluoropentanedioate
CID 166640231
CID 21127296
CID 21127296
(2S)-2-aminobutanedioate;silver
CID 87272123
dicesium;(2S)-2-aminobutanedioate
CID 11639845
disodium;2-aminobutanedioate
CID 172873588
tris(2-aminobutanedioate);bis(vanadium)
CID 173191601
tris(2-aminobutanedioate);bis(iron(3+))
CID 74401448
magnesium;2-aminobutanedioate;hydrochloride
CID 13372672
magnesium;bis(2-aminobutanedioate);hydron
CID 78170001
(2S)-2-aminobutanedioate;manganese(2+);hydrochloride
CID 88636151
magnesium;dipotassium;bis((2S)-2-aminobutanedioate)
CID 12049086

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluorobutanoate?
The IUPAC name of 3-amino-4-fluorobutanoate (CID 21121473) is 3-amino-4-fluorobutanoate.
What is the SMILES notation for 3-amino-4-fluorobutanoate?
The canonical SMILES for 3-amino-4-fluorobutanoate is NC(CF)CC(=O)[O-].
What is the InChIKey of 3-amino-4-fluorobutanoate?
The InChIKey is HKFNXEFUGVQTNQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8FNO2/c5-2-3(6)1-4(7)8/h3H,1-2,6H2,(H,7,8)/p-1.
What are the key properties of 3-amino-4-fluorobutanoate?
3-amino-4-fluorobutanoate has a molecular weight of 120.10 g/mol, XLogP of -1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluorobutanoate is sourced from PubChem (CID 21121473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).