1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid

C13H16N2O5 — CID 174731388

IUPAC1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid
SMILESCOc1ccc(CON2C(=O)CCC2C(=O)O)c(N)c1
InChIInChI=1S/C13H16N2O5/c1-19-9-3-2-8(10(14)6-9)7-20-15-11(13(17)18)4-5-12(15)16/h2-3,6,11H,4-5,7,14H2,1H3,(H,17,18)
InChIKeyACNXWGYTOUEHMO-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.78
Rot. Bonds5

About 1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid

1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 174731388) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID174731388
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid
SMILESCOc1ccc(CON2C(=O)CCC2C(=O)O)c(N)c1
InChIInChI=1S/C13H16N2O5/c1-19-9-3-2-8(10(14)6-9)7-20-15-11(13(17)18)4-5-12(15)16/h2-3,6,11H,4-5,7,14H2,1H3,(H,17,18)
InChIKeyACNXWGYTOUEHMO-UHFFFAOYSA-N
XLogP0.78
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid (CID 174731388) is 1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid is COc1ccc(CON2C(=O)CCC2C(=O)O)c(N)c1.
What is the InChIKey of 1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is ACNXWGYTOUEHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-19-9-3-2-8(10(14)6-9)7-20-15-11(13(17)18)4-5-12(15)16/h2-3,6,11H,4-5,7,14H2,1H3,(H,17,18).
What are the key properties of 1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid?
1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-methoxyphenyl)methoxy]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174731388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).