5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol

C24H26N2O5 — CID 56950933

About 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol

5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol (PubChem CID 56950933) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol.

Molecular Properties

• Compound Name: 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
• PubChem CID: 56950933
• Molecular Formula: C24H26N2O5
• Molecular Weight: 422.48 g/mol
• Exact Mass: 422.18
• IUPAC Name: 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol
• SMILES: CNC[C@H](O)c1cccc(O)c1.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O
• InChI: InChI=1S/C15H13NO3.C9H13NO2/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13;1-10-6-9(12)7-3-2-4-8(11)5-7/h1-7,11H,8-9H2,(H,18,19);2-5,9-12H,6H2,1H3/t;9-/m.0/s1
• InChIKey: GBIJOCNCFGEIHD-NPULLEENSA-N
• XLogP: 2.94
• TPSA: 111.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.48
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol?

The IUPAC name of 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol (CID 56950933) is 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol.

What is the SMILES notation for 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol?

The canonical SMILES for 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol is CNC[C@H](O)c1cccc(O)c1.O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O.

What is the InChIKey of 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol?

The InChIKey is GBIJOCNCFGEIHD-NPULLEENSA-N. The full InChI is InChI=1S/C15H13NO3.C9H13NO2/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13;1-10-6-9(12)7-3-2-4-8(11)5-7/h1-7,11H,8-9H2,(H,18,19);2-5,9-12H,6H2,1H3/t;9-/m.0/s1.

What are the key properties of 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol?

5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol has a molecular weight of 422.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol is sourced from PubChem (CID 56950933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).