1-Pyrrolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester, (S)-
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Basic information
- CAS
161364-84-7- Standard SMILES
CCOC(=O)CC(=O)N1CCC[C@H]1COc1ccccc1OC- InChIKey
OONSDZRZWIDGCB-ZDUSSCGKSA-N- Molecular formula
- C17H23NO5
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.15762283
Names & identifiers
- Preferred name
- 1-Pyrrolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester, (S)-
- IUPAC
- ethyl 3-[(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]-3-oxopropanoate
- English name
- ethyl 3-[(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]-3-oxo-propa noate
- Molecular formula
- C17H23NO5
- Molecular weight
- 321.37
Names & synonyms
161364-84-71-Pyrrolidinepropanoic acid, 2-((2-methoxyphenoxy)methyl)-beta-oxo-, ethyl ester, (S)-Ethyl (S)-(-)-2-((2-methoxyphenoxy)methyl)-beta-oxopyrrolidne-3-propionateDTXSID20167124RefChem:235262DTXCID3089615ethyl 3-[(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]-3-oxopropanoateEthyl 3-{(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl}-3-oxopropanoateethyl 3-[(2S)-2-[(2-methoxyphenoxy)methyl]pyrrolidin-1-yl]-3-oxo-propa noate1-Pyrrolidinepropanoic acid, 2-[(2-methoxyphenoxy)methyl]-β-oxo-, ethyl ester, (S)- (9CI)
Database identifiers
- CAS
161364-84-7- PubChem CID
- 3074769
- DTXSID
DTXSID20167124
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
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Compound notes
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