2-[(2R)-4-oxo-2-adamantyl]acetic acid

C12H16O3 — CID 118370550

IUPAC2-[(2R)-4-oxo-2-adamantyl]acetic acid
SMILESO=C(O)C[C@@H]1C2CC3CC(C2)C(=O)C1C3
InChIInChI=1S/C12H16O3/c13-11(14)5-9-7-1-6-2-8(4-7)12(15)10(9)3-6/h6-10H,1-5H2,(H,13,14)/t6?,7?,8?,9-,10?/m1/s1
InChIKeyHSRCZIVEWYGHSQ-ZIHHOPMFSA-N
MW208.26 g/mol
LogP1.71
Rot. Bonds2

About 2-[(2R)-4-oxo-2-adamantyl]acetic acid

2-[(2R)-4-oxo-2-adamantyl]acetic acid (PubChem CID 118370550) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[(2R)-4-oxo-2-adamantyl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-4-oxo-2-adamantyl]acetic acid
PubChem CID118370550
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-[(2R)-4-oxo-2-adamantyl]acetic acid
SMILESO=C(O)C[C@@H]1C2CC3CC(C2)C(=O)C1C3
InChIInChI=1S/C12H16O3/c13-11(14)5-9-7-1-6-2-8(4-7)12(15)10(9)3-6/h6-10H,1-5H2,(H,13,14)/t6?,7?,8?,9-,10?/m1/s1
InChIKeyHSRCZIVEWYGHSQ-ZIHHOPMFSA-N
XLogP1.71
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-oxo-2-adamantyl]acetic acid?
The IUPAC name of 2-[(2R)-4-oxo-2-adamantyl]acetic acid (CID 118370550) is 2-[(2R)-4-oxo-2-adamantyl]acetic acid.
What is the SMILES notation for 2-[(2R)-4-oxo-2-adamantyl]acetic acid?
The canonical SMILES for 2-[(2R)-4-oxo-2-adamantyl]acetic acid is O=C(O)C[C@@H]1C2CC3CC(C2)C(=O)C1C3.
What is the InChIKey of 2-[(2R)-4-oxo-2-adamantyl]acetic acid?
The InChIKey is HSRCZIVEWYGHSQ-ZIHHOPMFSA-N. The full InChI is InChI=1S/C12H16O3/c13-11(14)5-9-7-1-6-2-8(4-7)12(15)10(9)3-6/h6-10H,1-5H2,(H,13,14)/t6?,7?,8?,9-,10?/m1/s1.
What are the key properties of 2-[(2R)-4-oxo-2-adamantyl]acetic acid?
2-[(2R)-4-oxo-2-adamantyl]acetic acid has a molecular weight of 208.26 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-oxo-2-adamantyl]acetic acid is sourced from PubChem (CID 118370550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).