2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid

C16H25NO4 — CID 79468467

IUPAC2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO4/c18-14(17-1-2-21-10-15(19)20)9-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,1-10H2,(H,17,18)(H,19,20)
InChIKeyYZUOBORHJADFQP-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.81
Rot. Bonds7

About 2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid

2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid (PubChem CID 79468467) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid
PubChem CID79468467
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25NO4/c18-14(17-1-2-21-10-15(19)20)9-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,1-10H2,(H,17,18)(H,19,20)
InChIKeyYZUOBORHJADFQP-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(1-adamantyl)acetyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid (CID 79468467) is 2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid?
The InChIKey is YZUOBORHJADFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c18-14(17-1-2-21-10-15(19)20)9-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-13H,1-10H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid?
2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid has a molecular weight of 295.38 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(1-adamantyl)acetyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79468467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).