2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid

C14H24O2 — CID 83139469

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H24O2/c1-14(2,3)12(13(15)16)8-11-7-9-4-5-10(11)6-9/h9-12H,4-8H2,1-3H3,(H,15,16)
InChIKeyDTCAKBGSFGABAB-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.56
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid

2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid (PubChem CID 83139469) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid
PubChem CID83139469
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H24O2/c1-14(2,3)12(13(15)16)8-11-7-9-4-5-10(11)6-9/h9-12H,4-8H2,1-3H3,(H,15,16)
InChIKeyDTCAKBGSFGABAB-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid with MolForge

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Related Compounds

2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
CID 151505965
2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid
CID 79558834
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
1-(2-bicyclo[2.2.1]heptanyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713452
1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol
CID 79558432
dipropan-2-yl 2-(2-bicyclo[2.2.1]heptanylmethyl)propanedioate
CID 103972716
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
(2R)-3-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-hydroxy-2-methylpropanal
CID 124526830
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-amine
CID 79563499
1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79558433
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
2-[(2R)-2-bicyclo[2.2.1]heptanyl]-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]acetamide
CID 58363507

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid (CID 83139469) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid is CC(C)(C)C(CC1CC2CCC1C2)C(=O)O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid?
The InChIKey is DTCAKBGSFGABAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-14(2,3)12(13(15)16)8-11-7-9-4-5-10(11)6-9/h9-12H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid?
2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid has a molecular weight of 224.34 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 83139469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).