2-(aminomethyl)-3-fluorobutanoic acid

C5H10FNO2 — CID 105427832

IUPAC2-(aminomethyl)-3-fluorobutanoic acid
SMILESCC(F)C(CN)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-3(6)4(2-7)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)
InChIKeyOOOLDBVVPIIOOI-UHFFFAOYSA-N
MW135.14 g/mol
LogP0.00
Rot. Bonds3

About 2-(aminomethyl)-3-fluorobutanoic acid

2-(aminomethyl)-3-fluorobutanoic acid (PubChem CID 105427832) has the molecular formula C5H10FNO2 and a molecular weight of 135.14 g/mol. Its IUPAC name is 2-(aminomethyl)-3-fluorobutanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-fluorobutanoic acid
PubChem CID105427832
Molecular FormulaC5H10FNO2
Molecular Weight135.14 g/mol
Exact Mass135.07
IUPAC Name2-(aminomethyl)-3-fluorobutanoic acid
SMILESCC(F)C(CN)C(=O)O
InChIInChI=1S/C5H10FNO2/c1-3(6)4(2-7)5(8)9/h3-4H,2,7H2,1H3,(H,8,9)
InChIKeyOOOLDBVVPIIOOI-UHFFFAOYSA-N
XLogP0.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-fluorobutanoic acid?
The IUPAC name of 2-(aminomethyl)-3-fluorobutanoic acid (CID 105427832) is 2-(aminomethyl)-3-fluorobutanoic acid.
What is the SMILES notation for 2-(aminomethyl)-3-fluorobutanoic acid?
The canonical SMILES for 2-(aminomethyl)-3-fluorobutanoic acid is CC(F)C(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-3-fluorobutanoic acid?
The InChIKey is OOOLDBVVPIIOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO2/c1-3(6)4(2-7)5(8)9/h3-4H,2,7H2,1H3,(H,8,9).
What are the key properties of 2-(aminomethyl)-3-fluorobutanoic acid?
2-(aminomethyl)-3-fluorobutanoic acid has a molecular weight of 135.14 g/mol, XLogP of 0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-fluorobutanoic acid is sourced from PubChem (CID 105427832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).