2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid

C14H20N2O5S — CID 166506399

IUPAC2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NCCN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C14H20N2O5S/c17-10(8-22-9-12(19)20)15-5-6-16-11(18)7-14(13(16)21)3-1-2-4-14/h1-9H2,(H,15,17)(H,19,20)
InChIKeyRIWONPQPEDOLQA-UHFFFAOYSA-N
MW328.39 g/mol
LogP0.24
Rot. Bonds7

About 2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid

2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid (PubChem CID 166506399) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
PubChem CID166506399
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)NCCN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C14H20N2O5S/c17-10(8-22-9-12(19)20)15-5-6-16-11(18)7-14(13(16)21)3-1-2-4-14/h1-9H2,(H,15,17)(H,19,20)
InChIKeyRIWONPQPEDOLQA-UHFFFAOYSA-N
XLogP0.24
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 50.24
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-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid (CID 166506399) is 2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid is O=C(O)CSCC(=O)NCCN1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of 2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid?
The InChIKey is RIWONPQPEDOLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c17-10(8-22-9-12(19)20)15-5-6-16-11(18)7-14(13(16)21)3-1-2-4-14/h1-9H2,(H,15,17)(H,19,20).
What are the key properties of 2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid?
2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid has a molecular weight of 328.39 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 166506399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).