2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid

C7H14FNO2 — CID 105432095

IUPAC2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid
SMILESCCC(CN)(C(=O)O)C(C)F
InChIInChI=1S/C7H14FNO2/c1-3-7(4-9,5(2)8)6(10)11/h5H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyYFYUSRNLYCTXGF-UHFFFAOYSA-N
MW163.19 g/mol
LogP0.78
Rot. Bonds4

About 2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid

2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid (PubChem CID 105432095) has the molecular formula C7H14FNO2 and a molecular weight of 163.19 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid
PubChem CID105432095
Molecular FormulaC7H14FNO2
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Name2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid
SMILESCCC(CN)(C(=O)O)C(C)F
InChIInChI=1S/C7H14FNO2/c1-3-7(4-9,5(2)8)6(10)11/h5H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyYFYUSRNLYCTXGF-UHFFFAOYSA-N
XLogP0.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Aminomethyl)-2-ethylbutanoic acid hydrochloride
CID 53398884
2-(Azaniumylmethyl)-2-methylbutanoic acid chloride
CID 71757336
2-(Aminomethyl)-2-fluoro-3-methylbutanoic acid
CID 83855188
2-(Aminomethyl)-2-methylbutanoic acid hydrochloride
CID 121605253
2-(Aminomethyl)-2-ethylbutanoic acid
CID 21848078
4-Amino-2-fluoro-3,3-dimethylbutanoic acid
CID 142734398
2-(Aminomethyl)-2-fluorobutanoic acid
CID 55290539
2-(Aminomethyl)-2-fluoro-3,3-dimethylbutanoic acid
CID 83855267
2-(Aminomethyl)-3-fluorobutanoic acid
CID 105427832
2-(Aminomethyl)-3-fluoro-2-methylbutanoic acid
CID 105429305
2-(Aminomethyl)-2-(fluoromethyl)butanoic acid
CID 105429306
2-(Aminomethyl)-3-fluoro-2,3-dimethylbutanoic acid
CID 105432093

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid?
The IUPAC name of 2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid (CID 105432095) is 2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid is CCC(CN)(C(=O)O)C(C)F.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid?
The InChIKey is YFYUSRNLYCTXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO2/c1-3-7(4-9,5(2)8)6(10)11/h5H,3-4,9H2,1-2H3,(H,10,11).
What are the key properties of 2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid?
2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid has a molecular weight of 163.19 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-3-fluorobutanoic acid is sourced from PubChem (CID 105432095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).