[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate

C16H20FNO3S — CID 7355180

IUPAC[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
SMILESC[C@H](OC(=O)CSc1ccccc1F)C(=O)NC1CCCC1
InChIInChI=1S/C16H20FNO3S/c1-11(16(20)18-12-6-2-3-7-12)21-15(19)10-22-14-9-5-4-8-13(14)17/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyYARABIRMCGOLEO-NSHDSACASA-N
MW325.40 g/mol
LogP2.91
Rot. Bonds6

About [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate

[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate (PubChem CID 7355180) has the molecular formula C16H20FNO3S and a molecular weight of 325.40 g/mol. Its IUPAC name is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate.

Molecular Properties

Compound Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
PubChem CID7355180
Molecular FormulaC16H20FNO3S
Molecular Weight325.40 g/mol
Exact Mass325.11
IUPAC Name[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
SMILESC[C@H](OC(=O)CSc1ccccc1F)C(=O)NC1CCCC1
InChIInChI=1S/C16H20FNO3S/c1-11(16(20)18-12-6-2-3-7-12)21-15(19)10-22-14-9-5-4-8-13(14)17/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,18,20)/t11-/m0/s1
InChIKeyYARABIRMCGOLEO-NSHDSACASA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
The IUPAC name of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate (CID 7355180) is [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate.
What is the SMILES notation for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
The canonical SMILES for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate is C[C@H](OC(=O)CSc1ccccc1F)C(=O)NC1CCCC1.
What is the InChIKey of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
The InChIKey is YARABIRMCGOLEO-NSHDSACASA-N. The full InChI is InChI=1S/C16H20FNO3S/c1-11(16(20)18-12-6-2-3-7-12)21-15(19)10-22-14-9-5-4-8-13(14)17/h4-5,8-9,11-12H,2-3,6-7,10H2,1H3,(H,18,20)/t11-/m0/s1.
What are the key properties of [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate?
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate has a molecular weight of 325.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate is sourced from PubChem (CID 7355180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).