2-(3,5-dimethyl-1-adamantyl)acetic acid

C14H22O2 — CID 4067589

IUPAC2-(3,5-dimethyl-1-adamantyl)acetic acid
SMILESCC12CC3CC(C)(C1)CC(CC(=O)O)(C3)C2
InChIInChI=1S/C14H22O2/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyFUOXJVUIQUYDDI-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.46
Rot. Bonds2

About 2-(3,5-dimethyl-1-adamantyl)acetic acid

2-(3,5-dimethyl-1-adamantyl)acetic acid (PubChem CID 4067589) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-adamantyl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-adamantyl)acetic acid
PubChem CID4067589
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-(3,5-dimethyl-1-adamantyl)acetic acid
SMILESCC12CC3CC(C)(C1)CC(CC(=O)O)(C3)C2
InChIInChI=1S/C14H22O2/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(15)16/h10H,3-9H2,1-2H3,(H,15,16)
InChIKeyFUOXJVUIQUYDDI-UHFFFAOYSA-N
XLogP3.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dimethyl-1-adamantyl)-N-methylacetamide
CID 79986924
[(3S,5S)-3,5-dimethyl-1-adamantyl]methanol
CID 98043737
1-(3,5-dimethyl-1-adamantyl)-3,3-difluorobutan-2-one
CID 58122773
2-[2-(3,5-dimethyl-1-adamantyl)acetyl]propanedinitrile
CID 79986230
1-(3,5-dimethyl-1-adamantyl)-5,5,5-trifluoropentan-2-one
CID 114976593
2-(3,5-dimethyl-1-adamantyl)-N-(2-methylpropyl)acetamide
CID 79986456
2-[3-amino-5-(carboxymethyl)-1-adamantyl]acetic acid
CID 46865925
2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxycyclobutyl)acetamide
CID 79988578
2-(3,5-dimethyl-1-adamantyl)-N-pent-1-yn-3-ylacetamide
CID 106228055
N-(3-aminocyclobutyl)-2-(3,5-dimethyl-1-adamantyl)acetamide
CID 79988454
N-(2-cyanopropan-2-yl)-2-(3,5-dimethyl-1-adamantyl)acetamide
CID 79989309
2-(3,5-dimethyl-1-adamantyl)-N-(3-hydroxybutyl)acetamide
CID 79989463

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-adamantyl)acetic acid?
The IUPAC name of 2-(3,5-dimethyl-1-adamantyl)acetic acid (CID 4067589) is 2-(3,5-dimethyl-1-adamantyl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethyl-1-adamantyl)acetic acid?
The canonical SMILES for 2-(3,5-dimethyl-1-adamantyl)acetic acid is CC12CC3CC(C)(C1)CC(CC(=O)O)(C3)C2.
What is the InChIKey of 2-(3,5-dimethyl-1-adamantyl)acetic acid?
The InChIKey is FUOXJVUIQUYDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-12-3-10-4-13(2,7-12)9-14(5-10,8-12)6-11(15)16/h10H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(3,5-dimethyl-1-adamantyl)acetic acid?
2-(3,5-dimethyl-1-adamantyl)acetic acid has a molecular weight of 222.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-adamantyl)acetic acid is sourced from PubChem (CID 4067589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).