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

C12H18F3NO3 — CID 55010975

IUPAC1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H18F3NO3/c1-2-16(8-12(13,14)15)9(17)7-11(10(18)19)5-3-4-6-11/h2-8H2,1H3,(H,18,19)
InChIKeyWUAIXWLPBDBZQG-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.43
Rot. Bonds5

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

1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 55010975) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID55010975
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Name1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C12H18F3NO3/c1-2-16(8-12(13,14)15)9(17)7-11(10(18)19)5-3-4-6-11/h2-8H2,1H3,(H,18,19)
InChIKeyWUAIXWLPBDBZQG-UHFFFAOYSA-N
XLogP2.43
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
2,2-Diethyl-4-[ethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 55010976
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-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 60891736
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60891931
2,2-Diethyl-4-[methyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 60891932
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 60893279
4-[Butyl(2,2,2-trifluoroethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60948261
1-[2-[Butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948403

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 55010975) is 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CCN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is WUAIXWLPBDBZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO3/c1-2-16(8-12(13,14)15)9(17)7-11(10(18)19)5-3-4-6-11/h2-8H2,1H3,(H,18,19).
What are the key properties of 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55010975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).