3-[(1R)-2-oxocyclododecyl]propanoic acid

C15H26O3 — CID 7018981

IUPAC3-[(1R)-2-oxocyclododecyl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCCCCCCCCC1=O
InChIInChI=1S/C15H26O3/c16-14-10-8-6-4-2-1-3-5-7-9-13(14)11-12-15(17)18/h13H,1-12H2,(H,17,18)/t13-/m1/s1
InChIKeyZWJHEHCSBAMCBQ-CYBMUJFWSA-N
MW254.37 g/mol
LogP3.95
Rot. Bonds3

About 3-[(1R)-2-oxocyclododecyl]propanoic acid

3-[(1R)-2-oxocyclododecyl]propanoic acid (PubChem CID 7018981) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-[(1R)-2-oxocyclododecyl]propanoic acid.

Molecular Properties

Compound Name3-[(1R)-2-oxocyclododecyl]propanoic acid
PubChem CID7018981
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name3-[(1R)-2-oxocyclododecyl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCCCCCCCCC1=O
InChIInChI=1S/C15H26O3/c16-14-10-8-6-4-2-1-3-5-7-9-13(14)11-12-15(17)18/h13H,1-12H2,(H,17,18)/t13-/m1/s1
InChIKeyZWJHEHCSBAMCBQ-CYBMUJFWSA-N
XLogP3.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-oxocyclohexyl)butanoic acid
CID 10559385
3-(2-oxocyclododecyl)propanoyl chloride
CID 54316934
2-(3-oxo-3-phenylpropyl)cycloheptan-1-one
CID 10824211
2-(3-oxo-3-piperidin-1-ylpropyl)cyclohexan-1-one
CID 14393613
2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 2751330
(2R)-2-(3-oxo-3-phenylpropyl)cyclohexan-1-one
CID 712460
2-(3-methylbut-3-enyl)cyclohexan-1-one
CID 11217447
2-(4-diazo-3-oxobutyl)cycloheptan-1-one
CID 101125762
2-(3-oxoheptyl)cyclohexan-1-one
CID 71341464
2-(hydroxymethyl)cycloheptan-1-one
CID 13140470
3-[3-(2-oxocyclododecyl)propanoyl]oxolane-2,4-dione
CID 54184796
2-[(Z)-5-iodopent-4-enyl]cycloheptan-1-one
CID 10542655

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-2-oxocyclododecyl]propanoic acid?
The IUPAC name of 3-[(1R)-2-oxocyclododecyl]propanoic acid (CID 7018981) is 3-[(1R)-2-oxocyclododecyl]propanoic acid.
What is the SMILES notation for 3-[(1R)-2-oxocyclododecyl]propanoic acid?
The canonical SMILES for 3-[(1R)-2-oxocyclododecyl]propanoic acid is O=C(O)CC[C@H]1CCCCCCCCCCC1=O.
What is the InChIKey of 3-[(1R)-2-oxocyclododecyl]propanoic acid?
The InChIKey is ZWJHEHCSBAMCBQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H26O3/c16-14-10-8-6-4-2-1-3-5-7-9-13(14)11-12-15(17)18/h13H,1-12H2,(H,17,18)/t13-/m1/s1.
What are the key properties of 3-[(1R)-2-oxocyclododecyl]propanoic acid?
3-[(1R)-2-oxocyclododecyl]propanoic acid has a molecular weight of 254.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-2-oxocyclododecyl]propanoic acid is sourced from PubChem (CID 7018981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).