2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid

C22H21NO2 — CID 14855731

IUPAC2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2
InChIInChI=1S/C22H21NO2/c1-15(22(24)25)21-20(17-11-6-3-7-12-17)19(16-9-4-2-5-10-16)18-13-8-14-23(18)21/h2-7,9-12,15H,8,13-14H2,1H3,(H,24,25)
InChIKeyXVRNWKDEBIULBH-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.96
Rot. Bonds4

About 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid

2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid (PubChem CID 14855731) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid
PubChem CID14855731
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2
InChIInChI=1S/C22H21NO2/c1-15(22(24)25)21-20(17-11-6-3-7-12-17)19(16-9-4-2-5-10-16)18-13-8-14-23(18)21/h2-7,9-12,15H,8,13-14H2,1H3,(H,24,25)
InChIKeyXVRNWKDEBIULBH-UHFFFAOYSA-N
XLogP4.96
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid
CID 67855991
methyl 2-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate
CID 22335623
tert-butyl 1-(4-chlorophenyl)-2-phenyl-6,7-dihydro-5H-pyrrolizine-3-carboxylate
CID 22335628
2-[2-(4-chlorophenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]-N-hydroxy-2-oxoacetamide
CID 10339773
(E)-3-[2-(4-benzylphenyl)-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid
CID 10835875
(E)-3-[1-phenyl-2-(4-phenylsulfanylphenyl)-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid
CID 10812881
(E)-3-[2-[4-(benzenesulfinyl)phenyl]-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl]prop-2-enoic acid
CID 10434070
2,2,2-trichloro-1-[1-(4-fluorophenyl)-3-propan-2-yl-5,6,7,8-tetrahydroindolizin-2-yl]ethanol
CID 19892485
2-(3-methyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)propanoic acid
CID 83883838
5-chloro-7-phenyl-2,3-dihydro-1H-pyrrolizine
CID 20826016
(2R)-2-(3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 42223767
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
CID 38750294

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid?
The IUPAC name of 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid (CID 14855731) is 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid.
What is the SMILES notation for 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid?
The canonical SMILES for 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid is CC(C(=O)O)c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2.
What is the InChIKey of 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid?
The InChIKey is XVRNWKDEBIULBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-15(22(24)25)21-20(17-11-6-3-7-12-17)19(16-9-4-2-5-10-16)18-13-8-14-23(18)21/h2-7,9-12,15H,8,13-14H2,1H3,(H,24,25).
What are the key properties of 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid?
2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid has a molecular weight of 331.42 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diphenyl-6,7-dihydro-5H-pyrrolizin-3-yl)propanoic acid is sourced from PubChem (CID 14855731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).