2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid

C14H17NO4 — CID 103531291

IUPAC2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid
SMILESCOC1CCN(C(=O)Cc2ccccc2C(=O)O)C1
InChIInChI=1S/C14H17NO4/c1-19-11-6-7-15(9-11)13(16)8-10-4-2-3-5-12(10)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyIXZSKTBTEKPZHC-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.17
Rot. Bonds4

About 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid

2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid (PubChem CID 103531291) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid
PubChem CID103531291
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid
SMILESCOC1CCN(C(=O)Cc2ccccc2C(=O)O)C1
InChIInChI=1S/C14H17NO4/c1-19-11-6-7-15(9-11)13(16)8-10-4-2-3-5-12(10)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18)
InChIKeyIXZSKTBTEKPZHC-UHFFFAOYSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic 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

2-[2-(3-methoxypiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 103932666
2-[2-(3-methoxycarbonylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 104601679
2-[2-(4-hydroxy-3-methylpiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 114678070
2-[2-(3-tert-butylpyrrolidin-1-yl)-2-oxoethyl]benzoic acid
CID 104601774
1-(3-methoxypyrrolidin-1-yl)-2-phenoxyethanone
CID 108730501
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
2-[2-(aminomethyl)phenoxy]-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103530183
4-(3-methoxypyrrolidin-1-yl)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 103531272
2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzoic acid
CID 66545464
2-[2-oxo-2-[4-(4-phenylmethoxyphenoxy)piperidin-1-yl]ethyl]benzoic acid
CID 58347900
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
2-[2-(2-ethylthiomorpholin-4-yl)-2-oxoethyl]benzoic acid
CID 115923875

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid (CID 103531291) is 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid is COC1CCN(C(=O)Cc2ccccc2C(=O)O)C1.
What is the InChIKey of 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid?
The InChIKey is IXZSKTBTEKPZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-19-11-6-7-15(9-11)13(16)8-10-4-2-3-5-12(10)14(17)18/h2-5,11H,6-9H2,1H3,(H,17,18).
What are the key properties of 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid?
2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypyrrolidin-1-yl)-2-oxoethyl]benzoic acid is sourced from PubChem (CID 103531291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).