2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid

C12H17F3N2O4 — CID 61069687

IUPAC2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C12H17F3N2O4/c13-12(14,15)7-16-10(21)17-8(18)5-11(6-9(19)20)3-1-2-4-11/h1-7H2,(H,19,20)(H2,16,17,18,21)
InChIKeyHAZYQKWJKDHJCN-UHFFFAOYSA-N
MW310.27 g/mol
LogP1.80
Rot. Bonds5

About 2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid

2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid (PubChem CID 61069687) has the molecular formula C12H17F3N2O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid
PubChem CID61069687
Molecular FormulaC12H17F3N2O4
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C12H17F3N2O4/c13-12(14,15)7-16-10(21)17-8(18)5-11(6-9(19)20)3-1-2-4-11/h1-7H2,(H,19,20)(H2,16,17,18,21)
InChIKeyHAZYQKWJKDHJCN-UHFFFAOYSA-N
XLogP1.80
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid (CID 61069687) is 2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NC(=O)NCC(F)(F)F)CCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid?
The InChIKey is HAZYQKWJKDHJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O4/c13-12(14,15)7-16-10(21)17-8(18)5-11(6-9(19)20)3-1-2-4-11/h1-7H2,(H,19,20)(H2,16,17,18,21).
What are the key properties of 2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid?
2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid has a molecular weight of 310.27 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 61069687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).