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

C11H17F3N2O3 — CID 115433624

IUPAC1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(CNCC(F)(F)F)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-15-5-8(17)16-6-10(9(18)19)3-1-2-4-10/h15H,1-7H2,(H,16,17)(H,18,19)
InChIKeyIUPJVWDXXUQESM-UHFFFAOYSA-N
MW282.26 g/mol
LogP0.90
Rot. Bonds6

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

1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433624) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433624
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(CNCC(F)(F)F)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-15-5-8(17)16-6-10(9(18)19)3-1-2-4-10/h15H,1-7H2,(H,16,17)(H,18,19)
InChIKeyIUPJVWDXXUQESM-UHFFFAOYSA-N
XLogP0.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid (CID 115433624) is 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is O=C(CNCC(F)(F)F)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is IUPJVWDXXUQESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)7-15-5-8(17)16-6-10(9(18)19)3-1-2-4-10/h15H,1-7H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid?
1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).