1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid

C15H18FNO3 — CID 166317351

IUPAC1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid
SMILESCC1(C)CCC(NC(=O)c2cccc(F)c2)(C(=O)O)C1
InChIInChI=1S/C15H18FNO3/c1-14(2)6-7-15(9-14,13(19)20)17-12(18)10-4-3-5-11(16)8-10/h3-5,8H,6-7,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIKCWUNSVDCXRFK-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.59
Rot. Bonds3

About 1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid

1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid (PubChem CID 166317351) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid
PubChem CID166317351
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid
SMILESCC1(C)CCC(NC(=O)c2cccc(F)c2)(C(=O)O)C1
InChIInChI=1S/C15H18FNO3/c1-14(2)6-7-15(9-14,13(19)20)17-12(18)10-4-3-5-11(16)8-10/h3-5,8H,6-7,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyIKCWUNSVDCXRFK-UHFFFAOYSA-N
XLogP2.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid (CID 166317351) is 1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid is CC1(C)CCC(NC(=O)c2cccc(F)c2)(C(=O)O)C1.
What is the InChIKey of 1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid?
The InChIKey is IKCWUNSVDCXRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-14(2)6-7-15(9-14,13(19)20)17-12(18)10-4-3-5-11(16)8-10/h3-5,8H,6-7,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid?
1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorobenzoyl)amino]-3,3-dimethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 166317351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).