2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid

C7H12O3S — CID 93345758

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid
SMILESO=C(O)CS[C@H]1CCC[C@@H]1O
InChIInChI=1S/C7H12O3S/c8-5-2-1-3-6(5)11-4-7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyHPYURSZBFADRIY-WDSKDSINSA-N
MW176.24 g/mol
LogP0.72
Rot. Bonds3

About 2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid

2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid (PubChem CID 93345758) has the molecular formula C7H12O3S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid
PubChem CID93345758
Molecular FormulaC7H12O3S
Molecular Weight176.24 g/mol
Exact Mass176.05
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid
SMILESO=C(O)CS[C@H]1CCC[C@@H]1O
InChIInChI=1S/C7H12O3S/c8-5-2-1-3-6(5)11-4-7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6-/m0/s1
InChIKeyHPYURSZBFADRIY-WDSKDSINSA-N
XLogP0.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid (CID 93345758) is 2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid is O=C(O)CS[C@H]1CCC[C@@H]1O.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid?
The InChIKey is HPYURSZBFADRIY-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12O3S/c8-5-2-1-3-6(5)11-4-7(9)10/h5-6,8H,1-4H2,(H,9,10)/t5-,6-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid?
2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid has a molecular weight of 176.24 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-hydroxycyclopentyl]sulfanylacetic acid is sourced from PubChem (CID 93345758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).