1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid

C10H14F3NO3 — CID 43396540

IUPAC1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCC(F)(F)F
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)6-14-7(15)5-9(8(16)17)3-1-2-4-9/h1-6H2,(H,14,15)(H,16,17)
InChIKeyDRKDDZDWKMNUJX-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.70
Rot. Bonds4

About 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 43396540) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid
PubChem CID43396540
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCC(F)(F)F
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)6-14-7(15)5-9(8(16)17)3-1-2-4-9/h1-6H2,(H,14,15)(H,16,17)
InChIKeyDRKDDZDWKMNUJX-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid (CID 43396540) is 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)NCC(F)(F)F.
What is the InChIKey of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is DRKDDZDWKMNUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)6-14-7(15)5-9(8(16)17)3-1-2-4-9/h1-6H2,(H,14,15)(H,16,17).
What are the key properties of 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43396540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).