3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid

C10H16F3NO2 — CID 63067225

IUPAC3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCN(C1CCCC1)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-14(7-4-2-3-5-7)8(6-9(15)16)10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyZJGXXITUPBXMOU-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.27
Rot. Bonds4

About 3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid

3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid (PubChem CID 63067225) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid
PubChem CID63067225
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCN(C1CCCC1)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-14(7-4-2-3-5-7)8(6-9(15)16)10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16)
InChIKeyZJGXXITUPBXMOU-UHFFFAOYSA-N
XLogP2.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid (CID 63067225) is 3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid is CN(C1CCCC1)C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid?
The InChIKey is ZJGXXITUPBXMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-14(7-4-2-3-5-7)8(6-9(15)16)10(11,12)13/h7-8H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid?
3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid has a molecular weight of 239.24 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(methyl)amino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 63067225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).