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

C16H21NO5 — CID 22683743

IUPAC1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCOc1c(CCN2CC(C(=O)O)CC2=O)cccc1OC
InChIInChI=1S/C16H21NO5/c1-3-22-15-11(5-4-6-13(15)21-2)7-8-17-10-12(16(19)20)9-14(17)18/h4-6,12H,3,7-10H2,1-2H3,(H,19,20)
InChIKeyKCLVNJWYZYLGPK-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.57
Rot. Bonds7

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

1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 22683743) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID22683743
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCCOc1c(CCN2CC(C(=O)O)CC2=O)cccc1OC
InChIInChI=1S/C16H21NO5/c1-3-22-15-11(5-4-6-13(15)21-2)7-8-17-10-12(16(19)20)9-14(17)18/h4-6,12H,3,7-10H2,1-2H3,(H,19,20)
InChIKeyKCLVNJWYZYLGPK-UHFFFAOYSA-N
XLogP1.57
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethoxy-3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 16641959
1-[2-(3-chloro-4-ethoxy-5-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20985584
1-[2-[2-[2-(4-methoxyphenoxy)ethoxy]phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20984960
1-[2-[2-[2-(3-methoxyphenoxy)ethoxy]phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20991333
methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693497
1-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22682335
N-ethyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113184432
4-(chloromethyl)-1-[2-(2,3-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168507526
N-cycloheptyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184410
1-[2-[4-methoxy-3-(3-phenylpropoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 20990714
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
1-[2-[3-[(2-fluorophenyl)methoxy]-4-methoxyphenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22686462

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid (CID 22683743) is 1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is CCOc1c(CCN2CC(C(=O)O)CC2=O)cccc1OC.
What is the InChIKey of 1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is KCLVNJWYZYLGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-3-22-15-11(5-4-6-13(15)21-2)7-8-17-10-12(16(19)20)9-14(17)18/h4-6,12H,3,7-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 307.35 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxy-3-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 22683743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).