1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H22F3NO3 — CID 60950076

IUPAC1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H22F3NO3/c1-10(2)8-18(9-14(15,16)17)11(19)7-13(12(20)21)5-3-4-6-13/h10H,3-9H2,1-2H3,(H,20,21)
InChIKeyLTEIMQYDYDFDRJ-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.07
Rot. Bonds6

About 1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 60950076) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID60950076
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC(C)CN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H22F3NO3/c1-10(2)8-18(9-14(15,16)17)11(19)7-13(12(20)21)5-3-4-6-13/h10H,3-9H2,1-2H3,(H,20,21)
InChIKeyLTEIMQYDYDFDRJ-UHFFFAOYSA-N
XLogP3.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-Difluoropyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 172686941
1-[1-(Trifluoromethyl)cyclopentanecarbonyl]piperidine-4-carboxylic acid
CID 174730039
1-(2-Oxo-2-pyrrolidin-1-YL-ethyl)-cyclopentanecarboxylic acid
CID 16395006
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 43396540
4-[Ethyl(2,2,2-trifluoroethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 55010974
1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 55010975
2,2-Diethyl-4-[ethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 55010976
2-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55011705
1-[2-Oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid
CID 60662817
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60890219
2-[Methyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60891372
2-Methyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60891736

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 60950076) is 1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CC(C)CN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is LTEIMQYDYDFDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-10(2)8-18(9-14(15,16)17)11(19)7-13(12(20)21)5-3-4-6-13/h10H,3-9H2,1-2H3,(H,20,21).
What are the key properties of 1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 60950076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).