ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate

C14H24O5 — CID 14491871

IUPACethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate
SMILESCCOC(=O)C[C@H]1CC[C@](C)(C(=O)OCC)[C@]1(C)O
InChIInChI=1S/C14H24O5/c1-5-18-11(15)9-10-7-8-13(3,14(10,4)17)12(16)19-6-2/h10,17H,5-9H2,1-4H3/t10-,13-,14-/m1/s1
InChIKeyHYZVTAVAWGLQMF-LERXQTSPSA-N
MW272.34 g/mol
LogP1.67
Rot. Bonds5

About ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate

ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate (PubChem CID 14491871) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate
PubChem CID14491871
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nameethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate
SMILESCCOC(=O)C[C@H]1CC[C@](C)(C(=O)OCC)[C@]1(C)O
InChIInChI=1S/C14H24O5/c1-5-18-11(15)9-10-7-8-13(3,14(10,4)17)12(16)19-6-2/h10,17H,5-9H2,1-4H3/t10-,13-,14-/m1/s1
InChIKeyHYZVTAVAWGLQMF-LERXQTSPSA-N
XLogP1.67
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate?
The IUPAC name of ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate (CID 14491871) is ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate is CCOC(=O)C[C@H]1CC[C@](C)(C(=O)OCC)[C@]1(C)O.
What is the InChIKey of ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate?
The InChIKey is HYZVTAVAWGLQMF-LERXQTSPSA-N. The full InChI is InChI=1S/C14H24O5/c1-5-18-11(15)9-10-7-8-13(3,14(10,4)17)12(16)19-6-2/h10,17H,5-9H2,1-4H3/t10-,13-,14-/m1/s1.
What are the key properties of ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate?
ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,2R,3R)-3-(2-ethoxy-2-oxoethyl)-2-hydroxy-1,2-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 14491871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).