(3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid

C11H16O5 — CID 155935218

IUPAC(3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid
SMILESCCOC(=O)[C@H](CC(=O)O)C1CCCC1=O
InChIInChI=1S/C11H16O5/c1-2-16-11(15)8(6-10(13)14)7-4-3-5-9(7)12/h7-8H,2-6H2,1H3,(H,13,14)/t7?,8-/m1/s1
InChIKeySNIGZCCXFRAOAB-BRFYHDHCSA-N
MW228.24 g/mol
LogP1.01
Rot. Bonds5

About (3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid

(3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid (PubChem CID 155935218) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is (3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid.

Molecular Properties

Compound Name(3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid
PubChem CID155935218
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid
SMILESCCOC(=O)[C@H](CC(=O)O)C1CCCC1=O
InChIInChI=1S/C11H16O5/c1-2-16-11(15)8(6-10(13)14)7-4-3-5-9(7)12/h7-8H,2-6H2,1H3,(H,13,14)/t7?,8-/m1/s1
InChIKeySNIGZCCXFRAOAB-BRFYHDHCSA-N
XLogP1.01
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid?
The IUPAC name of (3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid (CID 155935218) is (3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid.
What is the SMILES notation for (3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid?
The canonical SMILES for (3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid is CCOC(=O)[C@H](CC(=O)O)C1CCCC1=O.
What is the InChIKey of (3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid?
The InChIKey is SNIGZCCXFRAOAB-BRFYHDHCSA-N. The full InChI is InChI=1S/C11H16O5/c1-2-16-11(15)8(6-10(13)14)7-4-3-5-9(7)12/h7-8H,2-6H2,1H3,(H,13,14)/t7?,8-/m1/s1.
What are the key properties of (3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid?
(3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid has a molecular weight of 228.24 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-ethoxy-4-oxo-3-(2-oxocyclopentyl)butanoic acid is sourced from PubChem (CID 155935218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).