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

C16H30N2O6 — CID 156865754

IUPAC2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCN(CCOCCOCC(=O)O)CC1
InChIInChI=1S/C16H30N2O6/c1-16(2,3)24-15(21)17-13-4-6-18(7-5-13)8-9-22-10-11-23-12-14(19)20/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyFJKZOLFTCORRMN-UHFFFAOYSA-N
MW346.42 g/mol
LogP1.09
Rot. Bonds9

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

2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid (PubChem CID 156865754) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid
PubChem CID156865754
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC Name2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NC1CCN(CCOCCOCC(=O)O)CC1
InChIInChI=1S/C16H30N2O6/c1-16(2,3)24-15(21)17-13-4-6-18(7-5-13)8-9-22-10-11-23-12-14(19)20/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20)
InChIKeyFJKZOLFTCORRMN-UHFFFAOYSA-N
XLogP1.09
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid (CID 156865754) is 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid is CC(C)(C)OC(=O)NC1CCN(CCOCCOCC(=O)O)CC1.
What is the InChIKey of 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid?
The InChIKey is FJKZOLFTCORRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-16(2,3)24-15(21)17-13-4-6-18(7-5-13)8-9-22-10-11-23-12-14(19)20/h13H,4-12H2,1-3H3,(H,17,21)(H,19,20).
What are the key properties of 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid?
2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid has a molecular weight of 346.42 g/mol, XLogP of 1.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 156865754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).