1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

C12H13NO4 — CID 2941796

IUPAC1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccccc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H13NO4/c1-17-10-5-3-2-4-9(10)13-7-8(12(15)16)6-11(13)14/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyBQQBMILQUDEPIK-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.13
Rot. Bonds3

About 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 2941796) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID2941796
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccccc1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C12H13NO4/c1-17-10-5-3-2-4-9(10)13-7-8(12(15)16)6-11(13)14/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyBQQBMILQUDEPIK-UHFFFAOYSA-N
XLogP1.13
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
benzyl (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7545638
(4-methoxyphenyl) (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057175
4-[4-(2-chlorophenyl)piperazine-1-carbonyl]-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 55345738
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996
4-(4-benzoylpiperazine-1-carbonyl)-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 24624490
1-[2-(2-methylpropoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 54792456
1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001
(2R)-4-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]morpholine-2-carboxylic acid
CID 129469151

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 2941796) is 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is COc1ccccc1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is BQQBMILQUDEPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-17-10-5-3-2-4-9(10)13-7-8(12(15)16)6-11(13)14/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2941796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).