2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H15FN2O3 — CID 64812280

IUPAC2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESNc1ccc(C(=O)NC2CCCC2C(=O)O)cc1F
InChIInChI=1S/C13H15FN2O3/c14-9-6-7(4-5-10(9)15)12(17)16-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3,15H2,(H,16,17)(H,18,19)
InChIKeyDWKGQDRPUOEIKI-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.39
Rot. Bonds3

About 2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid

2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64812280) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64812280
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESNc1ccc(C(=O)NC2CCCC2C(=O)O)cc1F
InChIInChI=1S/C13H15FN2O3/c14-9-6-7(4-5-10(9)15)12(17)16-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3,15H2,(H,16,17)(H,18,19)
InChIKeyDWKGQDRPUOEIKI-UHFFFAOYSA-N
XLogP1.39
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 64812280) is 2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid is Nc1ccc(C(=O)NC2CCCC2C(=O)O)cc1F.
What is the InChIKey of 2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DWKGQDRPUOEIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-9-6-7(4-5-10(9)15)12(17)16-11-3-1-2-8(11)13(18)19/h4-6,8,11H,1-3,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid?
2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64812280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).