2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid

C9H12F3NO4 — CID 64817204

IUPAC2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)OCC(F)(F)F
InChIInChI=1S/C9H12F3NO4/c10-9(11,12)4-17-8(16)13-6-3-1-2-5(6)7(14)15/h5-6H,1-4H2,(H,13,16)(H,14,15)
InChIKeyUVVFSTXCOMNVRS-UHFFFAOYSA-N
MW255.19 g/mol
LogP1.53
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid

2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 64817204) has the molecular formula C9H12F3NO4 and a molecular weight of 255.19 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid
PubChem CID64817204
Molecular FormulaC9H12F3NO4
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)OCC(F)(F)F
InChIInChI=1S/C9H12F3NO4/c10-9(11,12)4-17-8(16)13-6-3-1-2-5(6)7(14)15/h5-6H,1-4H2,(H,13,16)(H,14,15)
InChIKeyUVVFSTXCOMNVRS-UHFFFAOYSA-N
XLogP1.53
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid (CID 64817204) is 2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is UVVFSTXCOMNVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO4/c10-9(11,12)4-17-8(16)13-6-3-1-2-5(6)7(14)15/h5-6H,1-4H2,(H,13,16)(H,14,15).
What are the key properties of 2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid?
2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 255.19 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxycarbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).