ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate

C19H26O3 — CID 154715240

IUPACethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate
SMILESCCOC(=O)C[C@@H]1CCC[C@H]1CC(=O)CCc1ccccc1
InChIInChI=1S/C19H26O3/c1-2-22-19(21)14-17-10-6-9-16(17)13-18(20)12-11-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t16-,17-/m0/s1
InChIKeyXWNODEGFROBKSL-IRXDYDNUSA-N
MW302.41 g/mol
LogP3.95
Rot. Bonds8

About ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate

ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate (PubChem CID 154715240) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate
PubChem CID154715240
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Nameethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate
SMILESCCOC(=O)C[C@@H]1CCC[C@H]1CC(=O)CCc1ccccc1
InChIInChI=1S/C19H26O3/c1-2-22-19(21)14-17-10-6-9-16(17)13-18(20)12-11-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t16-,17-/m0/s1
InChIKeyXWNODEGFROBKSL-IRXDYDNUSA-N
XLogP3.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
CID 141490917
ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate
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CID 134303215
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CID 670110
ethyl 4-methylpentanoate;ethyl 3-phenylpropanoate
CID 174922594
ethyl 2-(3-phenylpropanoylsulfanyl)acetate
CID 175502807
ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate
CID 20792284
ethyl 2-[(2R,3R)-1-benzyl-2-tert-butylpyrrolidin-3-yl]acetate
CID 146168791
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CID 103707142

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate (CID 154715240) is ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate is CCOC(=O)C[C@@H]1CCC[C@H]1CC(=O)CCc1ccccc1.
What is the InChIKey of ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate?
The InChIKey is XWNODEGFROBKSL-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H26O3/c1-2-22-19(21)14-17-10-6-9-16(17)13-18(20)12-11-15-7-4-3-5-8-15/h3-5,7-8,16-17H,2,6,9-14H2,1H3/t16-,17-/m0/s1.
What are the key properties of ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate?
ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate has a molecular weight of 302.41 g/mol, XLogP of 3.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate is sourced from PubChem (CID 154715240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).