2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid

C15H18FNO4 — CID 65433607

IUPAC2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid
SMILESCOc1cccc(F)c1C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H18FNO4/c1-21-11-6-4-5-10(16)13(11)14(20)17-15(9-12(18)19)7-2-3-8-15/h4-6H,2-3,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyBQAAZRAYQXBTTQ-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.35
Rot. Bonds5

About 2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid

2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid (PubChem CID 65433607) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid
PubChem CID65433607
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid
SMILESCOc1cccc(F)c1C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H18FNO4/c1-21-11-6-4-5-10(16)13(11)14(20)17-15(9-12(18)19)7-2-3-8-15/h4-6H,2-3,7-9H2,1H3,(H,17,20)(H,18,19)
InChIKeyBQAAZRAYQXBTTQ-UHFFFAOYSA-N
XLogP2.35
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid (CID 65433607) is 2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid is COc1cccc(F)c1C(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid?
The InChIKey is BQAAZRAYQXBTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-21-11-6-4-5-10(16)13(11)14(20)17-15(9-12(18)19)7-2-3-8-15/h4-6H,2-3,7-9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid?
2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid has a molecular weight of 295.31 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid is sourced from PubChem (CID 65433607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).