3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid

C11H18F3NO2 — CID 103250803

IUPAC3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid
SMILESCC1(CNCC(C(=O)O)C(F)(F)F)CCCC1
InChIInChI=1S/C11H18F3NO2/c1-10(4-2-3-5-10)7-15-6-8(9(16)17)11(12,13)14/h8,15H,2-7H2,1H3,(H,16,17)
InChIKeyOFUMZMCYMLYHMD-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.42
Rot. Bonds5

About 3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid

3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid (PubChem CID 103250803) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid
PubChem CID103250803
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid
SMILESCC1(CNCC(C(=O)O)C(F)(F)F)CCCC1
InChIInChI=1S/C11H18F3NO2/c1-10(4-2-3-5-10)7-15-6-8(9(16)17)11(12,13)14/h8,15H,2-7H2,1H3,(H,16,17)
InChIKeyOFUMZMCYMLYHMD-UHFFFAOYSA-N
XLogP2.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid (CID 103250803) is 3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid is CC1(CNCC(C(=O)O)C(F)(F)F)CCCC1.
What is the InChIKey of 3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid?
The InChIKey is OFUMZMCYMLYHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-10(4-2-3-5-10)7-15-6-8(9(16)17)11(12,13)14/h8,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(1-methylcyclopentyl)methylamino]methyl]propanoic acid is sourced from PubChem (CID 103250803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).