4-(Methoxycarbonyl)-5-(pyrrolidine-1-carbonyl)furan-3-carboxylic acid
Basic information
- CAS
50347-44-9- Standard SMILES
COC(=O)c1c(C(=O)O)coc1C(=O)N1CCCC1- InChIKey
NFMUFIPKFVVSAU-UHFFFAOYSA-N- Molecular formula
- C12H13NO6
- Average molar mass
- 267.23 g/mol
- Monoisotopic mass
- 267.07428713
Names & identifiers
- Preferred name
- 4-(Methoxycarbonyl)-5-(pyrrolidine-1-carbonyl)furan-3-carboxylic acid
- IUPAC
- 4-methoxycarbonyl-5-(pyrrolidine-1-carbonyl)furan-3-carboxylic acid
Names & synonyms
50347-44-94-(METHOXYCARBONYL)-5-(PYRROLIDINE-1-CARBONYL)FURAN-3-CARBOXYLIC ACIDNSC156154DTXSID80964631NSC-156154
Database identifiers
- CAS
50347-44-9- PubChem CID
- 291201
- DTXSID
DTXSID80964631
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 390
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Compound notes
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