Basic information
- CAS
672309-90-9- Standard SMILES
CC(C)(C)OC(=O)n1cccc1-c1cccc(CC(=O)O)c1- InChIKey
ZGDYXPZYMVDNCX-UHFFFAOYSA-N- Molecular formula
- C17H19NO4
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.13140809
Names & identifiers
- Preferred name
- 2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]acetic Acid
- IUPAC
- 2-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]acetic acid
- English name
- 3-(2'-N-BOC-PYRROLE)PHENYLACETIC ACID
- Molecular formula
- C17H19NO4
- Molecular weight
- 301.34
Names & synonyms
672309-90-92-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]phenyl]acetic Acid2-(3-Carboxymethyl-phenyl)-pyrrole-1-carboxylic acid tert-butyl ester3-(2'-N-Boc-pyrrole)phenylaceticacidDTXSID30373572{3-[1-(tert-Butoxycarbonyl)-1H-pyrrol-2-yl]phenyl}acetic acid1H-Pyrrole-1-carboxylic acid, 2-[3-(carboxymethyl)phenyl]-, 1-(1,1-dimethylethyl) ester
Database identifiers
- CAS
672309-90-9- PubChem CID
- 2756830
- DTXSID
DTXSID30373572
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Chemistry & industry
Suppliers2 total
ASTATECH[email protected]
FWDCHEM[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…