2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid

C6H9NO3S — CID 3712406

IUPAC2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSC1CCC(=O)N1
InChIInChI=1S/C6H9NO3S/c8-4-1-2-5(7-4)11-3-6(9)10/h5H,1-3H2,(H,7,8)(H,9,10)
InChIKeyQOPHSAZRWBCIQA-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.04
Rot. Bonds3

About 2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid

2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid (PubChem CID 3712406) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid.

Molecular Properties

Compound Name2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid
PubChem CID3712406
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid
SMILESO=C(O)CSC1CCC(=O)N1
InChIInChI=1S/C6H9NO3S/c8-4-1-2-5(7-4)11-3-6(9)10/h5H,1-3H2,(H,7,8)(H,9,10)
InChIKeyQOPHSAZRWBCIQA-UHFFFAOYSA-N
XLogP0.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid?
The IUPAC name of 2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid (CID 3712406) is 2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid.
What is the SMILES notation for 2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid?
The canonical SMILES for 2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid is O=C(O)CSC1CCC(=O)N1.
What is the InChIKey of 2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid?
The InChIKey is QOPHSAZRWBCIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c8-4-1-2-5(7-4)11-3-6(9)10/h5H,1-3H2,(H,7,8)(H,9,10).
What are the key properties of 2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid?
2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid has a molecular weight of 175.21 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxopyrrolidin-2-yl)sulfanylacetic acid is sourced from PubChem (CID 3712406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).