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

C17H24O3 — CID 174101760

IUPACethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate
SMILESCCOC(=O)[C@@H](C[C@H]1C[C@@H]1CCc1ccccc1)OC
InChIInChI=1S/C17H24O3/c1-3-20-17(18)16(19-2)12-15-11-14(15)10-9-13-7-5-4-6-8-13/h4-8,14-16H,3,9-12H2,1-2H3/t14-,15+,16+/m0/s1
InChIKeyGOYBNYRCZQQCHF-ARFHVFGLSA-N
MW276.38 g/mol
LogP3.22
Rot. Bonds8

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

ethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate (PubChem CID 174101760) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate
PubChem CID174101760
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Nameethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate
SMILESCCOC(=O)[C@@H](C[C@H]1C[C@@H]1CCc1ccccc1)OC
InChIInChI=1S/C17H24O3/c1-3-20-17(18)16(19-2)12-15-11-14(15)10-9-13-7-5-4-6-8-13/h4-8,14-16H,3,9-12H2,1-2H3/t14-,15+,16+/m0/s1
InChIKeyGOYBNYRCZQQCHF-ARFHVFGLSA-N
XLogP3.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-oxo-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate
CID 174101764
ethyl (1S,2R,3S,5R)-2-benzamido-3,5-bis(2-phenylethyl)cyclopentane-1-carboxylate
CID 102202444
ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
4-methoxy-1-phenylheptan-3-one
CID 116708295
(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
3-phenylpropyl 3-amino-2-methoxypropanoate
CID 114144556
2-[(1S,2R)-2-(iodomethyl)cyclopropyl]ethylbenzene
CID 102318249
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
1-O-benzyl 2-O-ethyl (2R,3S)-3-(2-phenylethyl)aziridine-1,2-dicarboxylate
CID 91191519
diethyl 2-(4-phenylbutyl)propanedioate
CID 10661321
2-[2-[(2-methoxycyclopropyl)methoxymethyl]cyclopropyl]ethylbenzene
CID 166875667
ethyl (2R,3R)-3-(2-phenylethyl)oxirane-2-carboxylate
CID 138975697

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate?
The IUPAC name of ethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate (CID 174101760) is ethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate.
What is the SMILES notation for ethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate?
The canonical SMILES for ethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate is CCOC(=O)[C@@H](C[C@H]1C[C@@H]1CCc1ccccc1)OC.
What is the InChIKey of ethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate?
The InChIKey is GOYBNYRCZQQCHF-ARFHVFGLSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-20-17(18)16(19-2)12-15-11-14(15)10-9-13-7-5-4-6-8-13/h4-8,14-16H,3,9-12H2,1-2H3/t14-,15+,16+/m0/s1.
What are the key properties of ethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate?
ethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate has a molecular weight of 276.38 g/mol, XLogP of 3.22, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-methoxy-3-[(1R,2S)-2-(2-phenylethyl)cyclopropyl]propanoate is sourced from PubChem (CID 174101760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).