ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate

C16H20O3 — CID 174101764

IUPACethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate
SMILESCCOC(=O)C(=O)C[C@H]1C[C@@H]1CCc1ccccc1
InChIInChI=1S/C16H20O3/c1-2-19-16(18)15(17)11-14-10-13(14)9-8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14+/m0/s1
InChIKeyPGLNVPLZHQOWGB-UONOGXRCSA-N
MW260.33 g/mol
LogP2.78
Rot. Bonds7

About ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate

ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate (PubChem CID 174101764) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate.

Molecular Properties

Compound Nameethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate
PubChem CID174101764
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Nameethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate
SMILESCCOC(=O)C(=O)C[C@H]1C[C@@H]1CCc1ccccc1
InChIInChI=1S/C16H20O3/c1-2-19-16(18)15(17)11-14-10-13(14)9-8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14+/m0/s1
InChIKeyPGLNVPLZHQOWGB-UONOGXRCSA-N
XLogP2.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate
CID 174101760
ethyl 2,3-dioxo-5-phenylpentanoate
CID 125467281
ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate
CID 102202444
ethyl 3-phenyl-2-sulfanylidenepropanoate
CID 54295653
ethyl 2-[(2-phenylethylamino)methyl]prop-2-enoate
CID 103234136
(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
ethyl 2,4-dioxo-5-phenylpentanoate
CID 11085699
2-[(1S,2R)-2-(iodomethyl)cyclopropyl]ethylbenzene
CID 102318249
ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 19903100
ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate
CID 102105174
diethyl 5-oxo-2-(2-phenylethylsulfanyl)hex-2-enedioate
CID 54305855
diethyl 2,6-dimethyl-4-(2-phenylethyl)-1,4-dihydropyridine-3,5-dicarboxylate
CID 3457513

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate?
The IUPAC name of ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate (CID 174101764) is ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate.
What is the SMILES notation for ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate?
The canonical SMILES for ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate is CCOC(=O)C(=O)C[C@H]1C[C@@H]1CCc1ccccc1.
What is the InChIKey of ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate?
The InChIKey is PGLNVPLZHQOWGB-UONOGXRCSA-N. The full InChI is InChI=1S/C16H20O3/c1-2-19-16(18)15(17)11-14-10-13(14)9-8-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate?
ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate has a molecular weight of 260.33 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate is sourced from PubChem (CID 174101764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).