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

C11H16F3NO3 — CID 60891931

IUPAC1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C11H16F3NO3/c1-15(7-11(12,13)14)8(16)6-10(9(17)18)4-2-3-5-10/h2-7H2,1H3,(H,17,18)
InChIKeyMXLNUFWUCURCGV-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.04
Rot. Bonds4

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

1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 60891931) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID60891931
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C11H16F3NO3/c1-15(7-11(12,13)14)8(16)6-10(9(17)18)4-2-3-5-10/h2-7H2,1H3,(H,17,18)
InChIKeyMXLNUFWUCURCGV-UHFFFAOYSA-N
XLogP2.04
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 60891931) is 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is MXLNUFWUCURCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-15(7-11(12,13)14)8(16)6-10(9(17)18)4-2-3-5-10/h2-7H2,1H3,(H,17,18).
What are the key properties of 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 60891931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).