2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid

C11H16N2O5S — CID 139516760

IUPAC2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NCCN1C(=O)CCCC1=O
InChIInChI=1S/C11H16N2O5S/c14-8(6-19-7-11(17)18)12-4-5-13-9(15)2-1-3-10(13)16/h1-7H2,(H,12,14)(H,17,18)
InChIKeyBKGRZTRQRCMZPL-UHFFFAOYSA-N
MW288.32 g/mol
LogP-0.54
Rot. Bonds7

About 2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid

2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 139516760) has the molecular formula C11H16N2O5S and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
PubChem CID139516760
Molecular FormulaC11H16N2O5S
Molecular Weight288.32 g/mol
Exact Mass288.08
IUPAC Name2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NCCN1C(=O)CCCC1=O
InChIInChI=1S/C11H16N2O5S/c14-8(6-19-7-11(17)18)12-4-5-13-9(15)2-1-3-10(13)16/h1-7H2,(H,12,14)(H,17,18)
InChIKeyBKGRZTRQRCMZPL-UHFFFAOYSA-N
XLogP-0.54
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid (CID 139516760) is 2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid is O=C(O)CSCC(=O)NCCN1C(=O)CCCC1=O.
What is the InChIKey of 2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is BKGRZTRQRCMZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S/c14-8(6-19-7-11(17)18)12-4-5-13-9(15)2-1-3-10(13)16/h1-7H2,(H,12,14)(H,17,18).
What are the key properties of 2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 288.32 g/mol, XLogP of -0.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 139516760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).