(2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid

C15H26O2 — CID 90148363

IUPAC(2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid
SMILESC[C@H](CCC1(C)CC2CCCC(C2)C1)C(=O)O
InChIInChI=1S/C15H26O2/c1-11(14(16)17)6-7-15(2)9-12-4-3-5-13(8-12)10-15/h11-13H,3-10H2,1-2H3,(H,16,17)/t11-,12?,13?,15?/m1/s1
InChIKeyNSRRVDWVNHTNHT-PEGDAGBESA-N
MW238.37 g/mol
LogP4.09
Rot. Bonds4

About (2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid

(2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid (PubChem CID 90148363) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is (2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid
PubChem CID90148363
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name(2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid
SMILESC[C@H](CCC1(C)CC2CCCC(C2)C1)C(=O)O
InChIInChI=1S/C15H26O2/c1-11(14(16)17)6-7-15(2)9-12-4-3-5-13(8-12)10-15/h11-13H,3-10H2,1-2H3,(H,16,17)/t11-,12?,13?,15?/m1/s1
InChIKeyNSRRVDWVNHTNHT-PEGDAGBESA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid?
The IUPAC name of (2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid (CID 90148363) is (2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid.
What is the SMILES notation for (2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid?
The canonical SMILES for (2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid is C[C@H](CCC1(C)CC2CCCC(C2)C1)C(=O)O.
What is the InChIKey of (2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid?
The InChIKey is NSRRVDWVNHTNHT-PEGDAGBESA-N. The full InChI is InChI=1S/C15H26O2/c1-11(14(16)17)6-7-15(2)9-12-4-3-5-13(8-12)10-15/h11-13H,3-10H2,1-2H3,(H,16,17)/t11-,12?,13?,15?/m1/s1.
What are the key properties of (2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid?
(2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-(3-methyl-3-bicyclo[3.3.1]nonanyl)butanoic acid is sourced from PubChem (CID 90148363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).