2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid

C11H18O4 — CID 103973903

IUPAC2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
SMILESCCOC(=O)C(C)(C(=O)O)C1CCCC1
InChIInChI=1S/C11H18O4/c1-3-15-10(14)11(2,9(12)13)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyPTDSCEBOKUVDPN-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.83
Rot. Bonds4

About 2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid

2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid (PubChem CID 103973903) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
PubChem CID103973903
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid
SMILESCCOC(=O)C(C)(C(=O)O)C1CCCC1
InChIInChI=1S/C11H18O4/c1-3-15-10(14)11(2,9(12)13)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyPTDSCEBOKUVDPN-UHFFFAOYSA-N
XLogP1.83
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cycloheptyl-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973885
2-(1,1-dioxothiolan-3-yl)-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 103973459
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
diethyl 2-methyl-2-(3-oxocycloheptyl)propanedioate
CID 101236747
ethyl 2-cyclohexyl-2-ethoxypropanoate
CID 141274224
diethyl 2-cyclohexyl-2-methoxypropanedioate
CID 67553135
ethyl 2-cyclohexyl-3,3,3-trifluoro-2-hydroxypropanoate
CID 12060177
ethyl 2-methyl-3-oxo-2-(3-oxocyclohexyl)butanoate
CID 101417381
diethyl 2-cyclopentyl-2-(2-methylpropyl)propanedioate
CID 70189214
diethyl 2-methyl-2-[(2R)-5-oxopyrrolidin-2-yl]propanedioate
CID 125180975
2-cyclohexyl-2,2-difluoroacetamide;ethyl 2-cyclohexyl-2,2-difluoroacetate
CID 158104512
ethyl 2-(2-hydroxycyclohexyl)-2-methylpropanoate
CID 165348974

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid?
The IUPAC name of 2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid (CID 103973903) is 2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid is CCOC(=O)C(C)(C(=O)O)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid?
The InChIKey is PTDSCEBOKUVDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-15-10(14)11(2,9(12)13)8-6-4-5-7-8/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid?
2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid has a molecular weight of 214.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-ethoxy-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 103973903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).