2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid

C8H16FNO2 — CID 81113050

IUPAC2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(CCCF)C(C)(C)C(=O)O
InChIInChI=1S/C8H16FNO2/c1-8(2,7(11)12)10(3)6-4-5-9/h4-6H2,1-3H3,(H,11,12)
InChIKeyHPSROBVJHXWHLL-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.14
Rot. Bonds5

About 2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid

2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid (PubChem CID 81113050) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid
PubChem CID81113050
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid
SMILESCN(CCCF)C(C)(C)C(=O)O
InChIInChI=1S/C8H16FNO2/c1-8(2,7(11)12)10(3)6-4-5-9/h4-6H2,1-3H3,(H,11,12)
InChIKeyHPSROBVJHXWHLL-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid (CID 81113050) is 2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid is CN(CCCF)C(C)(C)C(=O)O.
What is the InChIKey of 2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid?
The InChIKey is HPSROBVJHXWHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-8(2,7(11)12)10(3)6-4-5-9/h4-6H2,1-3H3,(H,11,12).
What are the key properties of 2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid?
2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid has a molecular weight of 177.22 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoropropyl(methyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 81113050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).