3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid

C14H15F2NO4 — CID 66033092

IUPAC3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1ccccc1OC(F)F
InChIInChI=1S/C14H15F2NO4/c15-14(16)21-11-4-2-1-3-10(11)12(18)17-9-6-5-8(7-9)13(19)20/h1-4,8-9,14H,5-7H2,(H,17,18)(H,19,20)
InChIKeyGNJLEXQTRHMMTL-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.27
Rot. Bonds5

About 3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid

3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 66033092) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID66033092
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCC(C(=O)O)C1)c1ccccc1OC(F)F
InChIInChI=1S/C14H15F2NO4/c15-14(16)21-11-4-2-1-3-10(11)12(18)17-9-6-5-8(7-9)13(19)20/h1-4,8-9,14H,5-7H2,(H,17,18)(H,19,20)
InChIKeyGNJLEXQTRHMMTL-UHFFFAOYSA-N
XLogP2.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid (CID 66033092) is 3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid is O=C(NC1CCC(C(=O)O)C1)c1ccccc1OC(F)F.
What is the InChIKey of 3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is GNJLEXQTRHMMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c15-14(16)21-11-4-2-1-3-10(11)12(18)17-9-6-5-8(7-9)13(19)20/h1-4,8-9,14H,5-7H2,(H,17,18)(H,19,20).
What are the key properties of 3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid?
3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)benzoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66033092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).