[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

C15H20N4O5 — CID 7821652

IUPAC[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCN(CCC#N)C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C15H20N4O5/c1-18(8-4-7-16)11(20)10-24-12(21)9-19-13(22)15(17-14(19)23)5-2-3-6-15/h2-6,8-10H2,1H3,(H,17,23)
InChIKeyHZXFSGNRSUVXEQ-UHFFFAOYSA-N
MW336.35 g/mol
LogP-0.23
Rot. Bonds6

About [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate

[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (PubChem CID 7821652) has the molecular formula C15H20N4O5 and a molecular weight of 336.35 g/mol. Its IUPAC name is [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.

Molecular Properties

Compound Name[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
PubChem CID7821652
Molecular FormulaC15H20N4O5
Molecular Weight336.35 g/mol
Exact Mass336.14
IUPAC Name[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
SMILESCN(CCC#N)C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C15H20N4O5/c1-18(8-4-7-16)11(20)10-24-12(21)9-19-13(22)15(17-14(19)23)5-2-3-6-15/h2-6,8-10H2,1H3,(H,17,23)
InChIKeyHZXFSGNRSUVXEQ-UHFFFAOYSA-N
XLogP-0.23
TPSA119.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The IUPAC name of [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate (CID 7821652) is [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate.
What is the SMILES notation for [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The canonical SMILES for [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is CN(CCC#N)C(=O)COC(=O)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
The InChIKey is HZXFSGNRSUVXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5/c1-18(8-4-7-16)11(20)10-24-12(21)9-19-13(22)15(17-14(19)23)5-2-3-6-15/h2-6,8-10H2,1H3,(H,17,23).
What are the key properties of [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate?
[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate has a molecular weight of 336.35 g/mol, XLogP of -0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate is sourced from PubChem (CID 7821652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).