2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid

C24H25NO3 — CID 10362121

IUPAC2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
SMILESCOc1ccc(-c2c(-c3ccccc3)c3n(c2CC(=O)O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H25NO3/c1-24(2)14-20-23(16-7-5-4-6-8-16)22(17-9-11-18(28-3)12-10-17)19(13-21(26)27)25(20)15-24/h4-12H,13-15H2,1-3H3,(H,26,27)
InChIKeyAUVPDYMSBDSCCS-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.04
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid

2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid (PubChem CID 10362121) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
PubChem CID10362121
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
SMILESCOc1ccc(-c2c(-c3ccccc3)c3n(c2CC(=O)O)CC(C)(C)C3)cc1
InChIInChI=1S/C24H25NO3/c1-24(2)14-20-23(16-7-5-4-6-8-16)22(17-9-11-18(28-3)12-10-17)19(13-21(26)27)25(20)15-24/h4-12H,13-15H2,1-3H3,(H,26,27)
InChIKeyAUVPDYMSBDSCCS-UHFFFAOYSA-N
XLogP5.04
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1-benzofuran-6-yl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
CID 45269638
2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid;2-hydroxyethyl(trimethyl)azanium
CID 67016397
5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine
CID 143398632
2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate;2-hydroxyethyl(trimethyl)azanium
CID 46189831
ethyl 2-[2-(2-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate
CID 10024393
2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]-2-oxoacetic acid
CID 71166695
[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl] carbonochloridate;ethene
CID 142077908
2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]-2-hydroxyacetic acid
CID 22500666
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine
CID 10091129
2-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-5,7-dihydroindol-1-yl]acetic acid
CID 162370861
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid (CID 10362121) is 2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid is COc1ccc(-c2c(-c3ccccc3)c3n(c2CC(=O)O)CC(C)(C)C3)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid?
The InChIKey is AUVPDYMSBDSCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-24(2)14-20-23(16-7-5-4-6-8-16)22(17-9-11-18(28-3)12-10-17)19(13-21(26)27)25(20)15-24/h4-12H,13-15H2,1-3H3,(H,26,27).
What are the key properties of 2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid?
2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid has a molecular weight of 375.47 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid is sourced from PubChem (CID 10362121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).