1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid

C11H17F3N2O3 — CID 82763234

IUPAC1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-10(9(18)19)4-2-3-7(10)16-8(17)5-15-6-11(12,13)14/h7,15H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyAGGDDSMHOZSZJQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.90
Rot. Bonds5

About 1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid

1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 82763234) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID82763234
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)CNCC(F)(F)F
InChIInChI=1S/C11H17F3N2O3/c1-10(9(18)19)4-2-3-7(10)16-8(17)5-15-6-11(12,13)14/h7,15H,2-6H2,1H3,(H,16,17)(H,18,19)
InChIKeyAGGDDSMHOZSZJQ-UHFFFAOYSA-N
XLogP0.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid (CID 82763234) is 1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)CNCC(F)(F)F.
What is the InChIKey of 1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is AGGDDSMHOZSZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-10(9(18)19)4-2-3-7(10)16-8(17)5-15-6-11(12,13)14/h7,15H,2-6H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid?
1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[2-(2,2,2-trifluoroethylamino)acetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).