2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid

C14H24O2 — CID 68769763

IUPAC2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
SMILESCC(C[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(=O)O
InChIInChI=1S/C14H24O2/c1-9(12(15)16)7-11-8-10-5-6-14(11,4)13(10,2)3/h9-11H,5-8H2,1-4H3,(H,15,16)/t9?,10-,11+,14-/m1/s1
InChIKeyUZUWZNOVYNYHSF-UWFZAAFLSA-N
MW224.34 g/mol
LogP3.56
Rot. Bonds3

About 2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid

2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid (PubChem CID 68769763) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
PubChem CID68769763
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
SMILESCC(C[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(=O)O
InChIInChI=1S/C14H24O2/c1-9(12(15)16)7-11-8-10-5-6-14(11,4)13(10,2)3/h9-11H,5-8H2,1-4H3,(H,15,16)/t9?,10-,11+,14-/m1/s1
InChIKeyUZUWZNOVYNYHSF-UWFZAAFLSA-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-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid with MolForge

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Related Compounds

2-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 98874526
2-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid
CID 175145276
(2S)-2-amino-2-[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 124853781
2-chloro-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetic acid
CID 22159025
[(1S,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]methylazanium chloride
CID 127035477
[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-[(2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetate
CID 123733443
[(2R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylbutanoate
CID 91748871
2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]propanoic acid
CID 61454307
4-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]butyl prop-2-enoate
CID 175415960
(1S,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonyl chloride
CID 86307397
3-oxo-2,2-bis(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)butanoic acid
CID 175720812
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] hydrogen carbonate
CID 137480256

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid?
The IUPAC name of 2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid (CID 68769763) is 2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid is CC(C[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(=O)O.
What is the InChIKey of 2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid?
The InChIKey is UZUWZNOVYNYHSF-UWFZAAFLSA-N. The full InChI is InChI=1S/C14H24O2/c1-9(12(15)16)7-11-8-10-5-6-14(11,4)13(10,2)3/h9-11H,5-8H2,1-4H3,(H,15,16)/t9?,10-,11+,14-/m1/s1.
What are the key properties of 2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid?
2-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic 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-methyl-3-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]propanoic acid is sourced from PubChem (CID 68769763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).