2-(1-adamantylmethoxy)acetic acid

C13H20O3 — CID 16762791

IUPAC2-(1-adamantylmethoxy)acetic acid
SMILESO=C(O)COCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20O3/c14-12(15)7-16-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2,(H,14,15)
InChIKeyUOEJXPRIUIDKDP-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.30
Rot. Bonds4

About 2-(1-adamantylmethoxy)acetic acid

2-(1-adamantylmethoxy)acetic acid (PubChem CID 16762791) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(1-adamantylmethoxy)acetic acid.

Molecular Properties

Compound Name2-(1-adamantylmethoxy)acetic acid
PubChem CID16762791
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Name2-(1-adamantylmethoxy)acetic acid
SMILESO=C(O)COCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20O3/c14-12(15)7-16-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2,(H,14,15)
InChIKeyUOEJXPRIUIDKDP-UHFFFAOYSA-N
XLogP2.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethoxy)acetic acid?
The IUPAC name of 2-(1-adamantylmethoxy)acetic acid (CID 16762791) is 2-(1-adamantylmethoxy)acetic acid.
What is the SMILES notation for 2-(1-adamantylmethoxy)acetic acid?
The canonical SMILES for 2-(1-adamantylmethoxy)acetic acid is O=C(O)COCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantylmethoxy)acetic acid?
The InChIKey is UOEJXPRIUIDKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O3/c14-12(15)7-16-8-13-4-9-1-10(5-13)3-11(2-9)6-13/h9-11H,1-8H2,(H,14,15).
What are the key properties of 2-(1-adamantylmethoxy)acetic acid?
2-(1-adamantylmethoxy)acetic acid has a molecular weight of 224.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethoxy)acetic acid is sourced from PubChem (CID 16762791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).