ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate

C10H16O3 — CID 163993151

IUPACethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(=O)C[C@H]1CC
InChIInChI=1S/C10H16O3/c1-3-7-5-8(11)6-9(7)10(12)13-4-2/h7,9H,3-6H2,1-2H3/t7-,9?/m1/s1
InChIKeyUCJZEMMOXTZWIQ-YOXFSPIKSA-N
MW184.23 g/mol
LogP1.55
Rot. Bonds3

About ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate

ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate (PubChem CID 163993151) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate
PubChem CID163993151
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Nameethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate
SMILESCCOC(=O)C1CC(=O)C[C@H]1CC
InChIInChI=1S/C10H16O3/c1-3-7-5-8(11)6-9(7)10(12)13-4-2/h7,9H,3-6H2,1-2H3/t7-,9?/m1/s1
InChIKeyUCJZEMMOXTZWIQ-YOXFSPIKSA-N
XLogP1.55
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (1R)-2-ethyl-4-oxocyclopentane-1-carboxylate
CID 166968043
cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
trans-methyl (1S,2R)-2-ethyl-4-oxocyclopentane-1-carboxylate
CID 57027626
ethyl 2-ethyl-4-oxocyclopentane-1-carboxylate;ethyl 2-ethyl-4-oxocyclopent-2-ene-1-carboxylate
CID 157498788
diethyl 4-oxocyclohexane-1,2-dicarboxylate
CID 14062941
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
cis-ethyl (1R,2R)-2-ethylcyclopentane-1-carboxylate
CID 101471525
ethyl 2-aminocyclopentane-1-carboxylate;hydrochloride
CID 22258377
ethyl 2-(cyanomethylcarbamoyl)-4-oxocyclopentane-1-carboxylate
CID 91236922
ethyl (3R,4S)-4-ethylpyrrolidine-3-carboxylate
CID 91664549
ethyl 5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate
CID 73030532
ethyl (2S,3R)-2-methyl-6-oxopiperidine-3-carboxylate
CID 125042037

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate?
The IUPAC name of ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate (CID 163993151) is ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate?
The canonical SMILES for ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate is CCOC(=O)C1CC(=O)C[C@H]1CC.
What is the InChIKey of ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate?
The InChIKey is UCJZEMMOXTZWIQ-YOXFSPIKSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-7-5-8(11)6-9(7)10(12)13-4-2/h7,9H,3-6H2,1-2H3/t7-,9?/m1/s1.
What are the key properties of ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate?
ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate has a molecular weight of 184.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-ethyl-4-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 163993151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).