2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid

C11H18N2O4S — CID 139512137

IUPAC2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NCCN1CCCCC1=O
InChIInChI=1S/C11H18N2O4S/c14-9(7-18-8-11(16)17)12-4-6-13-5-2-1-3-10(13)15/h1-8H2,(H,12,14)(H,16,17)
InChIKeySOMGBCIRMCWVDY-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.07
Rot. Bonds7

About 2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid

2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid (PubChem CID 139512137) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid
PubChem CID139512137
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NCCN1CCCCC1=O
InChIInChI=1S/C11H18N2O4S/c14-9(7-18-8-11(16)17)12-4-6-13-5-2-1-3-10(13)15/h1-8H2,(H,12,14)(H,16,17)
InChIKeySOMGBCIRMCWVDY-UHFFFAOYSA-N
XLogP-0.07
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid (CID 139512137) is 2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid is O=C(O)CSCC(=O)NCCN1CCCCC1=O.
What is the InChIKey of 2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid?
The InChIKey is SOMGBCIRMCWVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c14-9(7-18-8-11(16)17)12-4-6-13-5-2-1-3-10(13)15/h1-8H2,(H,12,14)(H,16,17).
What are the key properties of 2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid?
2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid has a molecular weight of 274.34 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[2-(2-oxopiperidin-1-yl)ethylamino]ethyl]sulfanylacetic acid is sourced from PubChem (CID 139512137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).