1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

C15H19NO5 — CID 16641959

IUPAC1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCOc1c(CN2CC(C(=O)O)CC2=O)cccc1OC
InChIInChI=1S/C15H19NO5/c1-3-21-14-10(5-4-6-12(14)20-2)8-16-9-11(15(18)19)7-13(16)17/h4-6,11H,3,7-9H2,1-2H3,(H,18,19)
InChIKeyFUILVDFTMZNUPQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.53
Rot. Bonds6

About 1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 16641959) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID16641959
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCOc1c(CN2CC(C(=O)O)CC2=O)cccc1OC
InChIInChI=1S/C15H19NO5/c1-3-21-14-10(5-4-6-12(14)20-2)8-16-9-11(15(18)19)7-13(16)17/h4-6,11H,3,7-9H2,1-2H3,(H,18,19)
InChIKeyFUILVDFTMZNUPQ-UHFFFAOYSA-N
XLogP1.53
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22683743
1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22682335
(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146761
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
1-[(2,3-dimethoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708609
1-[[2-[(4-methylphenyl)methoxy]phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22682759
1-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22683234
1-[(2,3-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 83192525
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
1-(1H-indazol-4-ylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691481
1-[2-(3-chloro-4-ethoxy-5-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20985584

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 16641959) is 1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid is CCOc1c(CN2CC(C(=O)O)CC2=O)cccc1OC.
What is the InChIKey of 1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is FUILVDFTMZNUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-21-14-10(5-4-6-12(14)20-2)8-16-9-11(15(18)19)7-13(16)17/h4-6,11H,3,7-9H2,1-2H3,(H,18,19).
What are the key properties of 1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 16641959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).