2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid

C13H22O5 — CID 113383105

IUPAC2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid
SMILESCOC(=O)C(CC(C)OC)(C(=O)O)C1CCCC1
InChIInChI=1S/C13H22O5/c1-9(17-2)8-13(11(14)15,12(16)18-3)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyXRCFRZQAGOXSLD-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.85
Rot. Bonds6

About 2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid

2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid (PubChem CID 113383105) has the molecular formula C13H22O5 and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid
PubChem CID113383105
Molecular FormulaC13H22O5
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid
SMILESCOC(=O)C(CC(C)OC)(C(=O)O)C1CCCC1
InChIInChI=1S/C13H22O5/c1-9(17-2)8-13(11(14)15,12(16)18-3)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H,14,15)
InChIKeyXRCFRZQAGOXSLD-UHFFFAOYSA-N
XLogP1.85
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-4-ethyl-2-methoxycarbonylhexanoic acid
CID 113360497
2-cyclopentyl-2-methoxycarbonyl-6-methylheptanoic acid
CID 103974712
dimethyl 2-cyclopentyl-2-(3-methylbutyl)propanedioate
CID 113360294
dimethyl 2-cyclopentyl-2-(2-methylpentyl)propanedioate
CID 103973134
2-cyclopentyl-5,5,5-trifluoro-2-methoxycarbonylpentanoic acid
CID 103974632
2-cyclopentyl-3-methoxy-2-(oxan-4-ylmethyl)-3-oxopropanoic acid
CID 103974672
2-cyclopentyl-2-methoxycarbonyl-4-(oxolan-2-yl)butanoic acid
CID 103974658
2-cyclohexyl-2-methoxycarbothioylbutanoic acid
CID 174349649
diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 70189214
bis(2-methylpropyl) 2-cyclohexyl-2-(2-methylpropyl)propanedioate
CID 118088527
dimethyl 2-cyclopentyl-2-[2-(2-hydroxyethoxy)ethyl]propanedioate
CID 103973148
2-cyclopentyl-2-methoxycarbonyl-4-(1-methylpyrazol-4-yl)butanoic acid
CID 103023327

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid?
The IUPAC name of 2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid (CID 113383105) is 2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid.
What is the SMILES notation for 2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid?
The canonical SMILES for 2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid is COC(=O)C(CC(C)OC)(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid?
The InChIKey is XRCFRZQAGOXSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O5/c1-9(17-2)8-13(11(14)15,12(16)18-3)10-6-4-5-7-10/h9-10H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid?
2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid has a molecular weight of 258.31 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methoxy-2-methoxycarbonylpentanoic acid is sourced from PubChem (CID 113383105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).