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

C13H21F2NO4 — CID 103090701

IUPAC2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCOCC(F)F)CCCC1
InChIInChI=1S/C13H21F2NO4/c14-10(15)9-20-6-5-16-11(17)7-13(8-12(18)19)3-1-2-4-13/h10H,1-9H2,(H,16,17)(H,18,19)
InChIKeyKIGKHSIMYPAEIZ-UHFFFAOYSA-N
MW293.31 g/mol
LogP1.81
Rot. Bonds9

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

2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 103090701) has the molecular formula C13H21F2NO4 and a molecular weight of 293.31 g/mol. Its IUPAC name is 2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID103090701
Molecular FormulaC13H21F2NO4
Molecular Weight293.31 g/mol
Exact Mass293.14
IUPAC Name2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CC(=O)NCCOCC(F)F)CCCC1
InChIInChI=1S/C13H21F2NO4/c14-10(15)9-20-6-5-16-11(17)7-13(8-12(18)19)3-1-2-4-13/h10H,1-9H2,(H,16,17)(H,18,19)
InChIKeyKIGKHSIMYPAEIZ-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid (CID 103090701) is 2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid is O=C(O)CC1(CC(=O)NCCOCC(F)F)CCCC1.
What is the InChIKey of 2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is KIGKHSIMYPAEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO4/c14-10(15)9-20-6-5-16-11(17)7-13(8-12(18)19)3-1-2-4-13/h10H,1-9H2,(H,16,17)(H,18,19).
What are the key properties of 2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 293.31 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(2,2-difluoroethoxy)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 103090701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).