2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid

C15H19NO5 — CID 61371256

IUPAC2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid
SMILESCOc1cccc(OC)c1C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C15H19NO5/c1-20-11-6-3-7-12(21-2)14(11)15(19)16-8-4-5-10(16)9-13(17)18/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,17,18)
InChIKeyUKDVEKHTAYTQEA-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.78
Rot. Bonds5

About 2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid

2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61371256) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid
PubChem CID61371256
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid
SMILESCOc1cccc(OC)c1C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C15H19NO5/c1-20-11-6-3-7-12(21-2)14(11)15(19)16-8-4-5-10(16)9-13(17)18/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,17,18)
InChIKeyUKDVEKHTAYTQEA-UHFFFAOYSA-N
XLogP1.78
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethoxyphenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 683288
(2S)-1-(2,6-dimethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 42256587
(2,6-dimethoxyphenyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 142809150
(2-amino-6-methoxyphenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 81420870
2-[1-(3-carbamoylbenzoyl)pyrrolidin-2-yl]acetic acid
CID 61372262
(2-methoxyphenyl)-[2-(sulfanylmethyl)pyrrolidin-1-yl]methanone
CID 20623537
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 28706937
(2-methoxyphenyl)-[(2R)-2-(sulfanylmethyl)pyrrolidin-1-yl]methanone
CID 59949488
2-[1-(3,5-dimethyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370491
2-[1-(2-bromo-6-fluorobenzoyl)piperidin-2-yl]acetic acid
CID 114558491
[2-(aminomethyl)pyrrolidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63754345
2-[1-[2-(5-chloro-2-methoxyphenyl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61372432

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid (CID 61371256) is 2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid is COc1cccc(OC)c1C(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is UKDVEKHTAYTQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-11-6-3-7-12(21-2)14(11)15(19)16-8-4-5-10(16)9-13(17)18/h3,6-7,10H,4-5,8-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 293.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-dimethoxybenzoyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).