2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid

C12H18F2N2O4 — CID 115407550

IUPAC2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC(=O)NCC(F)F)CCCC1
InChIInChI=1S/C12H18F2N2O4/c13-8(14)7-15-11(20)16-9(17)5-12(6-10(18)19)3-1-2-4-12/h8H,1-7H2,(H,18,19)(H2,15,16,17,20)
InChIKeyPSYPDVZPZKDOSQ-UHFFFAOYSA-N
MW292.28 g/mol
LogP1.50
Rot. Bonds6

About 2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 115407550) has the molecular formula C12H18F2N2O4 and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID115407550
Molecular FormulaC12H18F2N2O4
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NC(=O)NCC(F)F)CCCC1
InChIInChI=1S/C12H18F2N2O4/c13-8(14)7-15-11(20)16-9(17)5-12(6-10(18)19)3-1-2-4-12/h8H,1-7H2,(H,18,19)(H2,15,16,17,20)
InChIKeyPSYPDVZPZKDOSQ-UHFFFAOYSA-N
XLogP1.50
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid (CID 115407550) is 2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NC(=O)NCC(F)F)CCCC1.
What is the InChIKey of 2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is PSYPDVZPZKDOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O4/c13-8(14)7-15-11(20)16-9(17)5-12(6-10(18)19)3-1-2-4-12/h8H,1-7H2,(H,18,19)(H2,15,16,17,20).
What are the key properties of 2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 292.28 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2,2-difluoroethylcarbamoylamino)-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 115407550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).