1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid

C14H17NO5 — CID 63146777

IUPAC1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(C)(C(=O)O)C2)c(O)c1
InChIInChI=1S/C14H17NO5/c1-14(13(18)19)5-6-15(8-14)12(17)10-4-3-9(20-2)7-11(10)16/h3-4,7,16H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyZWEKBVIALBLELQ-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.34
Rot. Bonds3

About 1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid

1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63146777) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63146777
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCC(C)(C(=O)O)C2)c(O)c1
InChIInChI=1S/C14H17NO5/c1-14(13(18)19)5-6-15(8-14)12(17)10-4-3-9(20-2)7-11(10)16/h3-4,7,16H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyZWEKBVIALBLELQ-UHFFFAOYSA-N
XLogP1.34
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid (CID 63146777) is 1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid is COc1ccc(C(=O)N2CCC(C)(C(=O)O)C2)c(O)c1.
What is the InChIKey of 1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is ZWEKBVIALBLELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-14(13(18)19)5-6-15(8-14)12(17)10-4-3-9(20-2)7-11(10)16/h3-4,7,16H,5-6,8H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).