1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid

C14H17NO5 — CID 24690196

IUPAC1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccc(C)cc2O)C1
InChIInChI=1S/C14H17NO5/c1-8-3-4-10(12(16)5-8)13(17)15-7-9(20-2)6-11(15)14(18)19/h3-5,9,11,16H,6-7H2,1-2H3,(H,18,19)
InChIKeySTYXVXTWBSDNNU-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.01
Rot. Bonds3

About 1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 24690196) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID24690196
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccc(C)cc2O)C1
InChIInChI=1S/C14H17NO5/c1-8-3-4-10(12(16)5-8)13(17)15-7-9(20-2)6-11(15)14(18)19/h3-5,9,11,16H,6-7H2,1-2H3,(H,18,19)
InChIKeySTYXVXTWBSDNNU-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 24694266
1-(5-chloro-2-iodobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 103932758
1-(2,5-dibromothiophene-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 113354325
1-(2-amino-5-fluorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 61157060
4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 24700309
1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 62308087
1-(5-acetamido-2-chlorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 120534505
1-(3,5-dichlorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43099378
1-(3,5-dibromobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 107971197
4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43172298
1-(2,6-difluorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24697164
1-(4-chloro-2-hydroxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 24709404

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 24690196) is 1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)c2ccc(C)cc2O)C1.
What is the InChIKey of 1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is STYXVXTWBSDNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-8-3-4-10(12(16)5-8)13(17)15-7-9(20-2)6-11(15)14(18)19/h3-5,9,11,16H,6-7H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 279.29 g/mol, XLogP of 1.01, 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-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24690196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).