1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

C12H13NO4 — CID 2736758

IUPAC1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C12H13NO4/c1-17-10-4-2-9(3-5-10)13-7-8(12(15)16)6-11(13)14/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyJIKAEHOGWAHVIJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.13
Rot. Bonds3

About 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 2736758) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID2736758
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C12H13NO4/c1-17-10-4-2-9(3-5-10)13-7-8(12(15)16)6-11(13)14/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyJIKAEHOGWAHVIJ-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

1-(4-Methoxyphenyl)-2,5-pyrrolidinedione
CID 345843
4-[(4-Ethoxyphenyl)amino]-4-oxobutanoic acid
CID 307455
Methyl 1-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridine-3-carboxylate
CID 661040
4'-Methoxysuccinanilic acid
CID 345844
5-Oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2741833
1-(2-Methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(3-Chloro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3146266
1-(4-ethoxyphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 3153845
N-cyclohexyl-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3153910
1-(4-Methoxyphenyl)-4-(morpholin-4-ylcarbonyl)pyrrolidin-2-one
CID 6458630
1-(4-Methoxyphenyl)-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 6460167
Methyl 1-(4-ethoxyphenyl)-5-oxo-3-pyrrolidinecarboxylate
CID 2967353

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 2736758) is 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is COc1ccc(N2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is JIKAEHOGWAHVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-17-10-4-2-9(3-5-10)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-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-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-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2736758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).