1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid

C14H18N2O3 — CID 102776604

IUPAC1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(N)=O)c(N2CCC(C)C2C(=O)O)c1
InChIInChI=1S/C14H18N2O3/c1-8-3-4-10(13(15)17)11(7-8)16-6-5-9(2)12(16)14(18)19/h3-4,7,9,12H,5-6H2,1-2H3,(H2,15,17)(H,18,19)
InChIKeyCWMLXDVKCRMETQ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.39
Rot. Bonds3

About 1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid

1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102776604) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102776604
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(N)=O)c(N2CCC(C)C2C(=O)O)c1
InChIInChI=1S/C14H18N2O3/c1-8-3-4-10(13(15)17)11(7-8)16-6-5-9(2)12(16)14(18)19/h3-4,7,9,12H,5-6H2,1-2H3,(H2,15,17)(H,18,19)
InChIKeyCWMLXDVKCRMETQ-UHFFFAOYSA-N
XLogP1.39
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid (CID 102776604) is 1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid is Cc1ccc(C(N)=O)c(N2CCC(C)C2C(=O)O)c1.
What is the InChIKey of 1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is CWMLXDVKCRMETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-3-4-10(13(15)17)11(7-8)16-6-5-9(2)12(16)14(18)19/h3-4,7,9,12H,5-6H2,1-2H3,(H2,15,17)(H,18,19).
What are the key properties of 1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid?
1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoyl-5-methylphenyl)-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102776604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).