1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid

C13H15NO5 — CID 63007028

IUPAC1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cccc(C(=O)N2CCC(C(=O)O)C2)c1O
InChIInChI=1S/C13H15NO5/c1-19-10-4-2-3-9(11(10)15)12(16)14-6-5-8(7-14)13(17)18/h2-4,8,15H,5-7H2,1H3,(H,17,18)
InChIKeyIJELQCPAFACQMX-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.95
Rot. Bonds3

About 1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid

1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63007028) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
PubChem CID63007028
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cccc(C(=O)N2CCC(C(=O)O)C2)c1O
InChIInChI=1S/C13H15NO5/c1-19-10-4-2-3-9(11(10)15)12(16)14-6-5-8(7-14)13(17)18/h2-4,8,15H,5-7H2,1H3,(H,17,18)
InChIKeyIJELQCPAFACQMX-UHFFFAOYSA-N
XLogP0.95
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-3-methoxybenzoyl)piperidine-3-carboxylic acid
CID 24705711
1-(2-hydroxy-3-methoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122117423
(4-chloropiperidin-1-yl)-(2-hydroxy-3-methoxyphenyl)methanone
CID 63390939
(2-hydroxy-3-methoxyphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64599551
(2-hydroxy-3-methoxyphenyl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 114498303
(2-hydroxy-3-methoxyphenyl)-(4-methylazepan-1-yl)methanone
CID 62045617
[3-(dimethylamino)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63615933
methyl 1-(2-methoxybenzoyl)pyrrolidine-3-carboxylate
CID 84581536
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
1-(2-hydroxy-3-methoxybenzoyl)piperidine-2-carboxylic acid
CID 24689574
[4-(1-aminoethyl)piperidin-1-yl]-(2-hydroxy-3-methoxyphenyl)methanone
CID 63597089
1-(4-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63031979

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid (CID 63007028) is 1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid is COc1cccc(C(=O)N2CCC(C(=O)O)C2)c1O.
What is the InChIKey of 1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IJELQCPAFACQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-19-10-4-2-3-9(11(10)15)12(16)14-6-5-8(7-14)13(17)18/h2-4,8,15H,5-7H2,1H3,(H,17,18).
What are the key properties of 1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid?
1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxybenzoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63007028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).