methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

C13H22N2O5 — CID 10636945

IUPACmethyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1NCCN(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C13H22N2O5/c1-13(2,3)20-11(17)8-15-6-5-14-9(12(15)18)7-10(16)19-4/h9,14H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyAKHHGGQXZBUVMH-VIFPVBQESA-N
MW286.33 g/mol
LogP-0.31
Rot. Bonds4

About methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate

methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (PubChem CID 10636945) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
PubChem CID10636945
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Namemethyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1NCCN(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C13H22N2O5/c1-13(2,3)20-11(17)8-15-6-5-14-9(12(15)18)7-10(16)19-4/h9,14H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyAKHHGGQXZBUVMH-VIFPVBQESA-N
XLogP-0.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate (CID 10636945) is methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is COC(=O)C[C@@H]1NCCN(CC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
The InChIKey is AKHHGGQXZBUVMH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H22N2O5/c1-13(2,3)20-11(17)8-15-6-5-14-9(12(15)18)7-10(16)19-4/h9,14H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate?
methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate has a molecular weight of 286.33 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 10636945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).