2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid

C11H20N2O4 — CID 19428217

IUPAC2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid
SMILESCC(C)(C)OCC1NCCN(CC(=O)O)C1=O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-7-8-10(16)13(5-4-12-8)6-9(14)15/h8,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyCWSTUNIIVBKLOZ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds4

About 2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid

2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid (PubChem CID 19428217) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid
PubChem CID19428217
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid
SMILESCC(C)(C)OCC1NCCN(CC(=O)O)C1=O
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-7-8-10(16)13(5-4-12-8)6-9(14)15/h8,12H,4-7H2,1-3H3,(H,14,15)
InChIKeyCWSTUNIIVBKLOZ-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid?
The IUPAC name of 2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid (CID 19428217) is 2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid is CC(C)(C)OCC1NCCN(CC(=O)O)C1=O.
What is the InChIKey of 2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid?
The InChIKey is CWSTUNIIVBKLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-7-8-10(16)13(5-4-12-8)6-9(14)15/h8,12H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid?
2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid has a molecular weight of 244.29 g/mol, XLogP of -0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylpropan-2-yl)oxymethyl]-2-oxopiperazin-1-yl]acetic acid is sourced from PubChem (CID 19428217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).