1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid

C14H16FNO3S — CID 43351105

IUPAC1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CSc1ccccc1F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H16FNO3S/c15-10-5-1-2-6-11(10)20-9-12(17)16-14(13(18)19)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,16,17)(H,18,19)
InChIKeyFCBCPQVLMUWHSC-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.43
Rot. Bonds5

About 1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid

1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 43351105) has the molecular formula C14H16FNO3S and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
PubChem CID43351105
Molecular FormulaC14H16FNO3S
Molecular Weight297.35 g/mol
Exact Mass297.08
IUPAC Name1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(CSc1ccccc1F)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H16FNO3S/c15-10-5-1-2-6-11(10)20-9-12(17)16-14(13(18)19)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,16,17)(H,18,19)
InChIKeyFCBCPQVLMUWHSC-UHFFFAOYSA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid (CID 43351105) is 1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid is O=C(CSc1ccccc1F)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is FCBCPQVLMUWHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3S/c15-10-5-1-2-6-11(10)20-9-12(17)16-14(13(18)19)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid?
1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-fluorophenyl)sulfanylacetyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).