3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid

C16H26O6 — CID 163937062

IUPAC3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid
SMILESCOC(CC1CCCC1)C(=O)OCCC(CC(=O)O)C(C)=O
InChIInChI=1S/C16H26O6/c1-11(17)13(10-15(18)19)7-8-22-16(20)14(21-2)9-12-5-3-4-6-12/h12-14H,3-10H2,1-2H3,(H,18,19)
InChIKeyRNSXVTHVXRSFJO-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.19
Rot. Bonds10

About 3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid

3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid (PubChem CID 163937062) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid.

Molecular Properties

Compound Name3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid
PubChem CID163937062
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid
SMILESCOC(CC1CCCC1)C(=O)OCCC(CC(=O)O)C(C)=O
InChIInChI=1S/C16H26O6/c1-11(17)13(10-15(18)19)7-8-22-16(20)14(21-2)9-12-5-3-4-6-12/h12-14H,3-10H2,1-2H3,(H,18,19)
InChIKeyRNSXVTHVXRSFJO-UHFFFAOYSA-N
XLogP2.19
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-cyclohexylethoxy)-3-(hydroxymethyl)-4-oxobutanoic acid
CID 174783530
3-(cyclohexylmethyl)-4-(iodomethoxy)-4-oxobutanoic acid
CID 89404971
3-(cyclopentylmethyl)-5-hydroxypentan-2-one
CID 103344013
(3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid
CID 68869731
(3S)-3-amino-4-cyclopentylbutanoic acid
CID 55254497
3-acetylpentanedioic acid
CID 19838981
(2S)-3-cyclopentyl-2-cyclopropyloxypropanoic acid
CID 167015607
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
3-(cyclopentylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 20752878
5-cyclohexyl-4-methoxypentan-2-one;methane
CID 158323784
(3S)-3-amino-4-cyclobutylbutanoic acid
CID 66644622
3-amino-4-cyclohexylbutan-2-one
CID 20668322

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid?
The IUPAC name of 3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid (CID 163937062) is 3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid.
What is the SMILES notation for 3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid?
The canonical SMILES for 3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid is COC(CC1CCCC1)C(=O)OCCC(CC(=O)O)C(C)=O.
What is the InChIKey of 3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid?
The InChIKey is RNSXVTHVXRSFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-11(17)13(10-15(18)19)7-8-22-16(20)14(21-2)9-12-5-3-4-6-12/h12-14H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid?
3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid has a molecular weight of 314.38 g/mol, XLogP of 2.19, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyclopentyl-2-methoxypropanoyl)oxyethyl]-4-oxopentanoic acid is sourced from PubChem (CID 163937062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).