3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid

C14H16FNO4 — CID 66032928

IUPAC3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cccc(F)c1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H16FNO4/c1-20-11-4-2-3-10(15)12(11)13(17)16-9-6-5-8(7-9)14(18)19/h2-4,8-9H,5-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyPCLOQINWSDENPV-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.82
Rot. Bonds4

About 3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid

3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66032928) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66032928
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCOc1cccc(F)c1C(=O)NC1CCC(C(=O)O)C1
InChIInChI=1S/C14H16FNO4/c1-20-11-4-2-3-10(15)12(11)13(17)16-9-6-5-8(7-9)14(18)19/h2-4,8-9H,5-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyPCLOQINWSDENPV-UHFFFAOYSA-N
XLogP1.82
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 66032928) is 3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid is COc1cccc(F)c1C(=O)NC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is PCLOQINWSDENPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-20-11-4-2-3-10(15)12(11)13(17)16-9-6-5-8(7-9)14(18)19/h2-4,8-9H,5-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).