2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid

C11H18N2O5 — CID 17040175

IUPAC2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)O)C(=O)C1
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-5-4-12(7-9(15)16)8(14)6-13/h4-7H2,1-3H3,(H,15,16)
InChIKeyQHPTYSXSHRLTHM-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.15
Rot. Bonds2

About 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid

2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid (PubChem CID 17040175) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid
PubChem CID17040175
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCN(CC(=O)O)C(=O)C1
InChIInChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-5-4-12(7-9(15)16)8(14)6-13/h4-7H2,1-3H3,(H,15,16)
InChIKeyQHPTYSXSHRLTHM-UHFFFAOYSA-N
XLogP0.15
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid (CID 17040175) is 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid is CC(C)(C)OC(=O)N1CCN(CC(=O)O)C(=O)C1.
What is the InChIKey of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid?
The InChIKey is QHPTYSXSHRLTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)13-5-4-12(7-9(15)16)8(14)6-13/h4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid?
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid has a molecular weight of 258.27 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperazin-1-yl]acetic acid is sourced from PubChem (CID 17040175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).