3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid

C16H15NO4 — CID 1473412

IUPAC3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid
SMILESCc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CCC3)cc1
InChIInChI=1S/C16H15NO4/c1-9-4-6-10(7-5-9)14-13(16(20)21)12(15(18)19)11-3-2-8-17(11)14/h4-7H,2-3,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyIJFOWPLTGQWATI-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.81
Rot. Bonds3

About 3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid

3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid (PubChem CID 1473412) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid
PubChem CID1473412
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid
SMILESCc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CCC3)cc1
InChIInChI=1S/C16H15NO4/c1-9-4-6-10(7-5-9)14-13(16(20)21)12(15(18)19)11-3-2-8-17(11)14/h4-7H,2-3,8H2,1H3,(H,18,19)(H,20,21)
InChIKeyIJFOWPLTGQWATI-UHFFFAOYSA-N
XLogP2.81
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,5-Dimethyl-Pyrrol-1-Ylmethyl)-Benzoic Acid
CID 659752
1-benzyl-2-methyl-5-phenyl-1H-pyrrole-3-carboxylic acid
CID 3312874
1-benzyl-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
CID 935740
5-(4-methylphenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylic acid
CID 1472063
4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]butanoic acid
CID 3245731
dimethyl 5-methyl-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 2904929
5-(4-fluorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylic acid
CID 1473419
5-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylic acid
CID 1473420
1-Ethyl-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid
CID 3724042
2-methyl-1,5-diphenyl-1H-pyrrole-3-carboxylic acid
CID 2735512
dimethyl 5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-dicarboxylate
CID 337612
Dimethyl 5-(4-methylphenyl)-2,2-dioxo-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
CID 1472036

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid?
The IUPAC name of 3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid (CID 1473412) is 3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid.
What is the SMILES notation for 3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid?
The canonical SMILES for 3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid is Cc1ccc(-c2c(C(=O)O)c(C(=O)O)c3n2CCC3)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid?
The InChIKey is IJFOWPLTGQWATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-9-4-6-10(7-5-9)14-13(16(20)21)12(15(18)19)11-3-2-8-17(11)14/h4-7H,2-3,8H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid?
3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6,7-dihydro-5H-pyrrolizine-1,2-dicarboxylic acid is sourced from PubChem (CID 1473412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).