methyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate

C10H16N2O4 — CID 71020448

IUPACmethyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate
SMILESCOC(=O)CC1NC(=O)C(C(C)C)NC1=O
InChIInChI=1S/C10H16N2O4/c1-5(2)8-10(15)11-6(9(14)12-8)4-7(13)16-3/h5-6,8H,4H2,1-3H3,(H,11,15)(H,12,14)
InChIKeyREZTZXMCCDNWKP-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.81
Rot. Bonds3

About methyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate

methyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate (PubChem CID 71020448) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate
PubChem CID71020448
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate
SMILESCOC(=O)CC1NC(=O)C(C(C)C)NC1=O
InChIInChI=1S/C10H16N2O4/c1-5(2)8-10(15)11-6(9(14)12-8)4-7(13)16-3/h5-6,8H,4H2,1-3H3,(H,11,15)(H,12,14)
InChIKeyREZTZXMCCDNWKP-UHFFFAOYSA-N
XLogP-0.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate?
The IUPAC name of methyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate (CID 71020448) is methyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate.
What is the SMILES notation for methyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate?
The canonical SMILES for methyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate is COC(=O)CC1NC(=O)C(C(C)C)NC1=O.
What is the InChIKey of methyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate?
The InChIKey is REZTZXMCCDNWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-5(2)8-10(15)11-6(9(14)12-8)4-7(13)16-3/h5-6,8H,4H2,1-3H3,(H,11,15)(H,12,14).
What are the key properties of methyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate?
methyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate has a molecular weight of 228.25 g/mol, XLogP of -0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,6-dioxo-5-propan-2-ylpiperazin-2-yl)acetate is sourced from PubChem (CID 71020448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).