2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid

C15H18FNO3S — CID 64672590

IUPAC2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CSc2ccccc2F)CCCC1
InChIInChI=1S/C15H18FNO3S/c16-11-5-1-2-6-12(11)21-10-13(18)17-15(9-14(19)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)(H,19,20)
InChIKeyLUHXKPDBJOSQHS-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.82
Rot. Bonds6

About 2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid

2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid (PubChem CID 64672590) has the molecular formula C15H18FNO3S and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid
PubChem CID64672590
Molecular FormulaC15H18FNO3S
Molecular Weight311.38 g/mol
Exact Mass311.10
IUPAC Name2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CSc2ccccc2F)CCCC1
InChIInChI=1S/C15H18FNO3S/c16-11-5-1-2-6-12(11)21-10-13(18)17-15(9-14(19)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)(H,19,20)
InChIKeyLUHXKPDBJOSQHS-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-pyridin-4-ylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671968
2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid
CID 119217384
2-[1-[(2-phenylacetyl)amino]cyclohexyl]acetic acid
CID 64671959
2-(2-fluorophenyl)sulfanylacetic acid
CID 2740386
3-[[2-(2-fluorophenyl)sulfanylacetyl]amino]oxolane-3-carboxylic acid
CID 64890580
2-[1-[(2-phenoxyacetyl)amino]cyclopentyl]acetic acid
CID 64673162
2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 107013634
2-[1-[[(2R)-2-amino-2-phenylacetyl]amino]cyclopentyl]acetic acid
CID 64701118
2-[1-[(2-methylsulfanylacetyl)amino]cyclohexyl]acetic acid
CID 64671362
2-[1-[[2-(2-methylphenyl)acetyl]amino]cyclopentyl]acetic acid
CID 64670407
2-[1-[(2-methylsulfanylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 107642357
2-(2-fluorophenyl)sulfanyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 4846003

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid (CID 64672590) is 2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid is O=C(O)CC1(NC(=O)CSc2ccccc2F)CCCC1.
What is the InChIKey of 2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid?
The InChIKey is LUHXKPDBJOSQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO3S/c16-11-5-1-2-6-12(11)21-10-13(18)17-15(9-14(19)20)7-3-4-8-15/h1-2,5-6H,3-4,7-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid?
2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid has a molecular weight of 311.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64672590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).