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

C13H25NO7 — CID 15544433

IUPAC2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCC(=O)O
InChIInChI=1S/C13H25NO7/c1-13(2,3)21-12(17)14-4-5-18-6-7-19-8-9-20-10-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyIFSMYFLQPDFUOI-UHFFFAOYSA-N
MW307.34 g/mol
LogP0.65
Rot. Bonds11

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

2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid (PubChem CID 15544433) has the molecular formula C13H25NO7 and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid
PubChem CID15544433
Molecular FormulaC13H25NO7
Molecular Weight307.34 g/mol
Exact Mass307.16
IUPAC Name2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid
SMILESCC(C)(C)OC(=O)NCCOCCOCCOCC(=O)O
InChIInChI=1S/C13H25NO7/c1-13(2,3)21-12(17)14-4-5-18-6-7-19-8-9-20-10-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyIFSMYFLQPDFUOI-UHFFFAOYSA-N
XLogP0.65
TPSA103.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid?
The IUPAC name of 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid (CID 15544433) is 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid is CC(C)(C)OC(=O)NCCOCCOCCOCC(=O)O.
What is the InChIKey of 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid?
The InChIKey is IFSMYFLQPDFUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO7/c1-13(2,3)21-12(17)14-4-5-18-6-7-19-8-9-20-10-11(15)16/h4-10H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid?
2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid has a molecular weight of 307.34 g/mol, XLogP of 0.65, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]acetic acid is sourced from PubChem (CID 15544433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).