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4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid

C14H15F2NO4 — CID 79884320

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid
SMILESO=C(COc1c(F)cc(C(=O)O)cc1F)NC1CCCC1
InChIInChI=1S/C14H15F2NO4/c15-10-5-8(14(19)20)6-11(16)13(10)21-7-12(18)17-9-3-1-2-4-9/h5-6,9H,1-4,7H2,(H,17,18)(H,19,20)
InChIKeyAVEBZTWJIVGACP-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.10
Rot. Bonds5

About 4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid

4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid (PubChem CID 79884320) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid.

Molecular Properties

Compound Name4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid
PubChem CID79884320
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid
SMILESO=C(COc1c(F)cc(C(=O)O)cc1F)NC1CCCC1
InChIInChI=1S/C14H15F2NO4/c15-10-5-8(14(19)20)6-11(16)13(10)21-7-12(18)17-9-3-1-2-4-9/h5-6,9H,1-4,7H2,(H,17,18)(H,19,20)
InChIKeyAVEBZTWJIVGACP-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid?
The IUPAC name of 4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid (CID 79884320) is 4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid.
What is the SMILES notation for 4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid?
The canonical SMILES for 4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid is O=C(COc1c(F)cc(C(=O)O)cc1F)NC1CCCC1.
What is the InChIKey of 4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid?
The InChIKey is AVEBZTWJIVGACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c15-10-5-8(14(19)20)6-11(16)13(10)21-7-12(18)17-9-3-1-2-4-9/h5-6,9H,1-4,7H2,(H,17,18)(H,19,20).
What are the key properties of 4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid?
4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid has a molecular weight of 299.27 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylamino)-2-oxoethoxy]-3,5-difluorobenzoic acid is sourced from PubChem (CID 79884320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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