2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid

C16H24N2O6 — CID 22923937

IUPAC2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(C2CC(=O)N(CC(=O)O)C2=O)CC1
InChIInChI=1S/C16H24N2O6/c1-16(2,3)24-15(23)17-6-4-10(5-7-17)11-8-12(19)18(14(11)22)9-13(20)21/h10-11H,4-9H2,1-3H3,(H,20,21)
InChIKeyGRMIKWVRFKTYLP-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.09
Rot. Bonds3

About 2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid

2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid (PubChem CID 22923937) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid
PubChem CID22923937
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Name2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CCC(C2CC(=O)N(CC(=O)O)C2=O)CC1
InChIInChI=1S/C16H24N2O6/c1-16(2,3)24-15(23)17-6-4-10(5-7-17)11-8-12(19)18(14(11)22)9-13(20)21/h10-11H,4-9H2,1-3H3,(H,20,21)
InChIKeyGRMIKWVRFKTYLP-UHFFFAOYSA-N
XLogP1.09
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid (CID 22923937) is 2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid is CC(C)(C)OC(=O)N1CCC(C2CC(=O)N(CC(=O)O)C2=O)CC1.
What is the InChIKey of 2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid?
The InChIKey is GRMIKWVRFKTYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6/c1-16(2,3)24-15(23)17-6-4-10(5-7-17)11-8-12(19)18(14(11)22)9-13(20)21/h10-11H,4-9H2,1-3H3,(H,20,21).
What are the key properties of 2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid?
2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid has a molecular weight of 340.38 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2,5-dioxopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 22923937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).