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

C20H38N2O8 — CID 170395949

IUPAC2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCN(CCOCCOCCOCCOCC(=O)O)CC1
InChIInChI=1S/C20H38N2O8/c1-20(2,3)30-19(25)21-17-4-6-22(7-5-17)8-9-26-10-11-27-12-13-28-14-15-29-16-18(23)24/h17H,4-16H2,1-3H3,(H,21,25)(H,23,24)
InChIKeySXPHNHPHWRMMNV-UHFFFAOYSA-N
MW434.53 g/mol
LogP1.13
Rot. Bonds15

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

2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 170395949) has the molecular formula C20H38N2O8 and a molecular weight of 434.53 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID170395949
Molecular FormulaC20H38N2O8
Molecular Weight434.53 g/mol
Exact Mass434.26
IUPAC Name2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCN(CCOCCOCCOCCOCC(=O)O)CC1
InChIInChI=1S/C20H38N2O8/c1-20(2,3)30-19(25)21-17-4-6-22(7-5-17)8-9-26-10-11-27-12-13-28-14-15-29-16-18(23)24/h17H,4-16H2,1-3H3,(H,21,25)(H,23,24)
InChIKeySXPHNHPHWRMMNV-UHFFFAOYSA-N
XLogP1.13
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid (CID 170395949) is 2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is CC(C)(C)OC(=O)NC1CCN(CCOCCOCCOCCOCC(=O)O)CC1.
What is the InChIKey of 2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is SXPHNHPHWRMMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2O8/c1-20(2,3)30-19(25)21-17-4-6-22(7-5-17)8-9-26-10-11-27-12-13-28-14-15-29-16-18(23)24/h17H,4-16H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 434.53 g/mol, XLogP of 1.13, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 170395949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).