4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid

C19H19NO4 — CID 118454086

IUPAC4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(CN2CCCC2=O)c(OCc2ccccc2)c1
InChIInChI=1S/C19H19NO4/c21-18-7-4-10-20(18)12-16-9-8-15(19(22)23)11-17(16)24-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,22,23)
InChIKeyVCYOPIHEYACDCC-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.09
Rot. Bonds6

About 4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid

4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid (PubChem CID 118454086) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid
PubChem CID118454086
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid
SMILESO=C(O)c1ccc(CN2CCCC2=O)c(OCc2ccccc2)c1
InChIInChI=1S/C19H19NO4/c21-18-7-4-10-20(18)12-16-9-8-15(19(22)23)11-17(16)24-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,22,23)
InChIKeyVCYOPIHEYACDCC-UHFFFAOYSA-N
XLogP3.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[(2-oxoazocan-1-yl)methyl]benzoic acid
CID 102766078
3-[(6-methylsulfonyl-3-pyridinyl)oxy]-4-[(2-oxopyrrolidin-1-yl)methyl]benzoic acid
CID 118454102
4-anilino-3-phenylmethoxybenzoic acid
CID 123431173
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
2-(2-oxopyrrolidin-1-yl)-N-[(3-phenylmethoxyphenyl)methyl]acetamide
CID 129367971
(2-methoxyphenyl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 30812015
3-(4-chloro-3-fluorophenoxy)-4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-phenylcyclobutyl)benzamide
CID 118465284
methyl 3-bromo-4-[(2-oxopyrrolidin-1-yl)methyl]benzoate
CID 102765978
3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 142011046

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid?
The IUPAC name of 4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid (CID 118454086) is 4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid.
What is the SMILES notation for 4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid?
The canonical SMILES for 4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid is O=C(O)c1ccc(CN2CCCC2=O)c(OCc2ccccc2)c1.
What is the InChIKey of 4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid?
The InChIKey is VCYOPIHEYACDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c21-18-7-4-10-20(18)12-16-9-8-15(19(22)23)11-17(16)24-13-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12-13H2,(H,22,23).
What are the key properties of 4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid?
4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid has a molecular weight of 325.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxopyrrolidin-1-yl)methyl]-3-phenylmethoxybenzoic acid is sourced from PubChem (CID 118454086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).