2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid

C14H24O2 — CID 79558834

IUPAC2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid
SMILESCC(C)CC(CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H24O2/c1-9(2)5-13(14(15)16)8-12-7-10-3-4-11(12)6-10/h9-13H,3-8H2,1-2H3,(H,15,16)
InChIKeyJPABCUQZMCJVJY-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.56
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid

2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid (PubChem CID 79558834) 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)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid
PubChem CID79558834
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid
SMILESCC(C)CC(CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C14H24O2/c1-9(2)5-13(14(15)16)8-12-7-10-3-4-11(12)6-10/h9-13H,3-8H2,1-2H3,(H,15,16)
InChIKeyJPABCUQZMCJVJY-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

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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)-3,3-dimethylbutanoic acid
CID 83139469
(2S)-2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-4-methylpentanoic acid
CID 61155175
dipropan-2-yl 2-(2-bicyclo[2.2.1]heptanylmethyl)propanedioate
CID 103972716
2-[(2-bicyclo[2.2.1]heptanylmethylcarbamoylamino)methyl]pentanoic acid
CID 65226271
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid
CID 79558031
2-[1-(2-bicyclo[2.2.1]heptanylmethyl)azetidin-3-yl]propanoic acid
CID 116683695
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[2-bicyclo[2.2.1]heptanylmethyl(2-methylpropyl)amino]acetic acid
CID 79558141
3-(2-bicyclo[2.2.1]heptanylmethylsulfanyl)butanoic acid
CID 79553861
(3S)-3-amino-4-[[4-(2-bicyclo[2.2.1]heptanyl)-3-hydroxybutan-2-yl]amino]-4-oxobutanoic acid
CID 67882687

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid (CID 79558834) is 2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid is CC(C)CC(CC1CC2CCC1C2)C(=O)O.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid?
The InChIKey is JPABCUQZMCJVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-9(2)5-13(14(15)16)8-12-7-10-3-4-11(12)6-10/h9-13H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid?
2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid has a molecular weight of 224.34 g/mol, XLogP of 3.56, 5 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)-4-methylpentanoic acid is sourced from PubChem (CID 79558834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).