2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid

C14H27NO8 — CID 166714895

About 2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid

2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid (PubChem CID 166714895) has the molecular formula C14H27NO8 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid
• PubChem CID: 166714895
• Molecular Formula: C14H27NO8
• Molecular Weight: 337.37 g/mol
• Exact Mass: 337.17
• IUPAC Name: 2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid
• SMILES: CC(C)(C)OC(=O)NCCOCC(O)COCCOCC(=O)O
• InChI: InChI=1S/C14H27NO8/c1-14(2,3)23-13(19)15-4-5-20-8-11(16)9-21-6-7-22-10-12(17)18/h11,16H,4-10H2,1-3H3,(H,15,19)(H,17,18)
• InChIKey: LXTCKHJKBBFBCS-UHFFFAOYSA-N
• XLogP: 0.01
• TPSA: 123.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.37
LogP ≤ 5	0.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid?

The IUPAC name of 2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid (CID 166714895) is 2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid.

What is the SMILES notation for 2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid?

The canonical SMILES for 2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid is CC(C)(C)OC(=O)NCCOCC(O)COCCOCC(=O)O.

What is the InChIKey of 2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid?

The InChIKey is LXTCKHJKBBFBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO8/c1-14(2,3)23-13(19)15-4-5-20-8-11(16)9-21-6-7-22-10-12(17)18/h11,16H,4-10H2,1-3H3,(H,15,19)(H,17,18).

What are the key properties of 2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid?

2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid has a molecular weight of 337.37 g/mol, XLogP of 0.01, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propoxy]ethoxy]acetic acid is sourced from PubChem (CID 166714895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).