Basic information
- CAS
119647-71-1- Standard SMILES
CCOC(=O)c1cc(C(=O)CCC(=O)O)c[nH]1- InChIKey
UYAREPYLHMHXQP-UHFFFAOYSA-N- Molecular formula
- C11H13NO5
- Average molar mass
- 239.22 g/mol
- Monoisotopic mass
- 239.07937252
Names & identifiers
- Preferred name
- 5-(Ethoxycarbonyl)-gamma-oxo-1H-pyrrole-3-butanoic acid
- IUPAC
- 4-(5-ethoxycarbonyl-1H-pyrrol-3-yl)-4-oxobutanoic acid
Names & synonyms
119647-71-1RefChem:3004555-(Ethoxycarbonyl)-gamma-oxo-1H-pyrrole-3-butanoic acid4-[5-(ethoxycarbonyl)-1H-pyrrol-3-yl]-4-oxobutanoic acid4-[5-(Ethoxycarbonyl)-3-pyrrolyl]-4-oxobutanoic AcidMFCD023274834-(5-(Ethoxycarbonyl)-1h-pyrrol-3-yl)-4-oxobutanoic acidOprea1_602756SCHEMBL14915671UYAREPYLHMHXQP-UHFFFAOYSA-NDTXSID001224011AC8621
Show more names
DA-47434SY264713CS-0345827EN300-107214AO-192/139610044-(5-ethoxycarbonyl-1H-pyrrol-3-yl)-4-oxo-butanoic acid4-[5-(ethoxycarbonyl)-1H-pyrrol-3-yl]-4-oxobutanoicacid5-(Ethoxycarbonyl)-I(3)-oxo-1H-pyrrole-3-butanoic acid
Database identifiers
- CAS
119647-71-1- PubChem CID
- 23908396
- DTXSID
DTXSID001224011- Nikkaji
- J645.872F
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
6 records
Compound notes
Loading…