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

C15H26O3 — CID 156773034

IUPAC2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)[C@]1(O)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C15H26O3/c1-9(2)11(12(16)17)15(18)8-10-6-7-14(15,5)13(10,3)4/h9-11,18H,6-8H2,1-5H3,(H,16,17)/t10-,11?,14-,15-/m1/s1
InChIKeyOKZMAROGSSUNLX-YWMFMSQASA-N
MW254.37 g/mol
LogP2.92
Rot. Bonds3

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

2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid (PubChem CID 156773034) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid
PubChem CID156773034
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)[C@]1(O)C[C@H]2CC[C@]1(C)C2(C)C
InChIInChI=1S/C15H26O3/c1-9(2)11(12(16)17)15(18)8-10-6-7-14(15,5)13(10,3)4/h9-11,18H,6-8H2,1-5H3,(H,16,17)/t10-,11?,14-,15-/m1/s1
InChIKeyOKZMAROGSSUNLX-YWMFMSQASA-N
XLogP2.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid?
The IUPAC name of 2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid (CID 156773034) is 2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid?
The canonical SMILES for 2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid is CC(C)C(C(=O)O)[C@]1(O)C[C@H]2CC[C@]1(C)C2(C)C.
What is the InChIKey of 2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid?
The InChIKey is OKZMAROGSSUNLX-YWMFMSQASA-N. The full InChI is InChI=1S/C15H26O3/c1-9(2)11(12(16)17)15(18)8-10-6-7-14(15,5)13(10,3)4/h9-11,18H,6-8H2,1-5H3,(H,16,17)/t10-,11?,14-,15-/m1/s1.
What are the key properties of 2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid?
2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid has a molecular weight of 254.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-methylbutanoic acid is sourced from PubChem (CID 156773034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).