5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid

C19H19NO4 — CID 121230012

IUPAC5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
SMILESCOc1ccc(-c2ccccc2C(=O)C2CCNC2)c(C(=O)O)c1
InChIInChI=1S/C19H19NO4/c1-24-13-6-7-15(17(10-13)19(22)23)14-4-2-3-5-16(14)18(21)12-8-9-20-11-12/h2-7,10,12,20H,8-9,11H2,1H3,(H,22,23)
InChIKeyAYZRYSCZBYVOQH-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.85
Rot. Bonds5

About 5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid

5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid (PubChem CID 121230012) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
PubChem CID121230012
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
SMILESCOc1ccc(-c2ccccc2C(=O)C2CCNC2)c(C(=O)O)c1
InChIInChI=1S/C19H19NO4/c1-24-13-6-7-15(17(10-13)19(22)23)14-4-2-3-5-16(14)18(21)12-8-9-20-11-12/h2-7,10,12,20H,8-9,11H2,1H3,(H,22,23)
InChIKeyAYZRYSCZBYVOQH-UHFFFAOYSA-N
XLogP2.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-4-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid
CID 121230068
(2-fluoro-4-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 103397092
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
(2-hydroxyphenyl)-pyrrolidin-3-ylmethanone
CID 90905389
2-chloro-5-[2-(pyrrolidine-3-carbonyl)phenyl]pyridine-3-carboxylic acid
CID 121230032
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
(2-amino-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 105494724
(4-methoxy-2-methylphenyl)-piperidin-4-ylmethanone;hydrochloride
CID 115004226
(5-chloro-2-methoxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568381
2-[2-(pyrrolidine-3-carbonyl)phenyl]-1H-pyridin-4-one
CID 121229997
5-methoxy-2-(4-methylnaphthalen-1-yl)benzoic acid
CID 53405469
phenyl-[(3R)-pyrrolidin-3-yl]methanone
CID 86327261

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid?
The IUPAC name of 5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid (CID 121230012) is 5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid?
The canonical SMILES for 5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid is COc1ccc(-c2ccccc2C(=O)C2CCNC2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid?
The InChIKey is AYZRYSCZBYVOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-24-13-6-7-15(17(10-13)19(22)23)14-4-2-3-5-16(14)18(21)12-8-9-20-11-12/h2-7,10,12,20H,8-9,11H2,1H3,(H,22,23).
What are the key properties of 5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid?
5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid has a molecular weight of 325.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-(pyrrolidine-3-carbonyl)phenyl]benzoic acid is sourced from PubChem (CID 121230012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).