2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid

C15H17NO4 — CID 118109007

IUPAC2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
SMILESCOc1ccc(C2CN3C(=O)CCC3(C(=O)O)C2)cc1
InChIInChI=1S/C15H17NO4/c1-20-12-4-2-10(3-5-12)11-8-15(14(18)19)7-6-13(17)16(15)9-11/h2-5,11H,6-9H2,1H3,(H,18,19)
InChIKeyJXYHNZWMLHSBMQ-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.63
Rot. Bonds3

About 2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid

2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid (PubChem CID 118109007) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
PubChem CID118109007
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid
SMILESCOc1ccc(C2CN3C(=O)CCC3(C(=O)O)C2)cc1
InChIInChI=1S/C15H17NO4/c1-20-12-4-2-10(3-5-12)11-8-15(14(18)19)7-6-13(17)16(15)9-11/h2-5,11H,6-9H2,1H3,(H,18,19)
InChIKeyJXYHNZWMLHSBMQ-UHFFFAOYSA-N
XLogP1.63
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic 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

ethyl (2S,8R)-2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylate
CID 140761476
1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145272
4-(4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 18361933
3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 67514282
2-(4-methoxyphenyl)bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CID 174158364
1,5-bis(4-methoxyphenyl)piperidin-2-one
CID 153340032
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
3-(4-methoxyphenyl)-1-methylazetidine
CID 134399978
1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one
CID 3537198
2-cyclopentyl-1-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 93480750
cyclopropyl-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 73168589
cyclopropyl-[(3S)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883367

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The IUPAC name of 2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid (CID 118109007) is 2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The canonical SMILES for 2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid is COc1ccc(C2CN3C(=O)CCC3(C(=O)O)C2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
The InChIKey is JXYHNZWMLHSBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-20-12-4-2-10(3-5-12)11-8-15(14(18)19)7-6-13(17)16(15)9-11/h2-5,11H,6-9H2,1H3,(H,18,19).
What are the key properties of 2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid?
2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-oxo-2,3,6,7-tetrahydro-1H-pyrrolizine-8-carboxylic acid is sourced from PubChem (CID 118109007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).