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

C11H18F3NO2 — CID 55249648

IUPAC3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCN(CC1CCCC1)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-15(7-8-4-2-3-5-8)9(6-10(16)17)11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyCSLWRTYPSKVPSQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.51
Rot. Bonds5

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

3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid (PubChem CID 55249648) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid
PubChem CID55249648
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCN(CC1CCCC1)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C11H18F3NO2/c1-15(7-8-4-2-3-5-8)9(6-10(16)17)11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyCSLWRTYPSKVPSQ-UHFFFAOYSA-N
XLogP2.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(4,4-difluorocyclohexyl)-2-methylpyrrolidine-3-carboxylic acid
CID 118551185
3-[(2,3-Dimethylcyclopropyl)-methylamino]-4,4,4-trifluorobutanoic acid
CID 123970249
1-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 55055408
4,4,4-Trifluoro-3-(4-propylpiperidin-1-yl)butanoic acid
CID 55145947
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carboxylic acid
CID 55146896
4,4,4-Trifluoro-3-[pentyl(propan-2-yl)amino]butanoic acid
CID 55147866
3-(4-Ethylpiperidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 55148445
3-[Cyclohexylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid
CID 55148447
1-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62270314
2-Ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]butanoic acid
CID 62271024
1-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271395
1-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62272144

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid (CID 55249648) is 3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid is CN(CC1CCCC1)C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid?
The InChIKey is CSLWRTYPSKVPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-15(7-8-4-2-3-5-8)9(6-10(16)17)11(12,13)14/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid?
3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid has a molecular weight of 253.26 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentylmethyl(methyl)amino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 55249648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).