2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

C22H42N2O9 — CID 170395962

IUPAC2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCN(CCOCCOCCOCCOCCOCC(=O)O)CC1
InChIInChI=1S/C22H42N2O9/c1-22(2,3)33-21(27)23-19-4-6-24(7-5-19)8-9-28-10-11-29-12-13-30-14-15-31-16-17-32-18-20(25)26/h19H,4-18H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyOHVCWTKMAIIMBE-UHFFFAOYSA-N
MW478.58 g/mol
LogP1.14
Rot. Bonds18

About 2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid

2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 170395962) has the molecular formula C22H42N2O9 and a molecular weight of 478.58 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID170395962
Molecular FormulaC22H42N2O9
Molecular Weight478.58 g/mol
Exact Mass478.29
IUPAC Name2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCN(CCOCCOCCOCCOCCOCC(=O)O)CC1
InChIInChI=1S/C22H42N2O9/c1-22(2,3)33-21(27)23-19-4-6-24(7-5-19)8-9-28-10-11-29-12-13-30-14-15-31-16-17-32-18-20(25)26/h19H,4-18H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyOHVCWTKMAIIMBE-UHFFFAOYSA-N
XLogP1.14
TPSA125.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 170395962) is 2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is CC(C)(C)OC(=O)NC1CCN(CCOCCOCCOCCOCCOCC(=O)O)CC1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is OHVCWTKMAIIMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O9/c1-22(2,3)33-21(27)23-19-4-6-24(7-5-19)8-9-28-10-11-29-12-13-30-14-15-31-16-17-32-18-20(25)26/h19H,4-18H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of 2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 478.58 g/mol, XLogP of 1.14, 18 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 170395962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).