1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid

C13H16N2O3 — CID 63147406

IUPAC1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccccc2C(N)=O)C1
InChIInChI=1S/C13H16N2O3/c1-13(12(17)18)6-7-15(8-13)10-5-3-2-4-9(10)11(14)16/h2-5H,6-8H2,1H3,(H2,14,16)(H,17,18)
InChIKeyTYRVNPACBJPNTM-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.09
Rot. Bonds3

About 1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid

1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63147406) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63147406
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(c2ccccc2C(N)=O)C1
InChIInChI=1S/C13H16N2O3/c1-13(12(17)18)6-7-15(8-13)10-5-3-2-4-9(10)11(14)16/h2-5H,6-8H2,1H3,(H2,14,16)(H,17,18)
InChIKeyTYRVNPACBJPNTM-UHFFFAOYSA-N
XLogP1.09
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxycarbonylphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013235
1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79512519
1-(2-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147397
3-methyl-1-(2-sulfamoylphenyl)pyrrolidine-3-carboxylic acid
CID 55166923
1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55165768
2-(2,7-diazaspiro[4.4]nonan-2-yl)benzamide
CID 112740364
5-amino-2-(3-carbamoyl-3-methylpyrrolidin-1-yl)benzoic acid
CID 114082441
1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid
CID 81274508
1-(2-cyano-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79512608
5-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)benzamide
CID 103357701
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902
2-(4-methylsulfonylpiperazin-1-yl)benzamide
CID 153409878

Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid (CID 63147406) is 1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(c2ccccc2C(N)=O)C1.
What is the InChIKey of 1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is TYRVNPACBJPNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(12(17)18)6-7-15(8-13)10-5-3-2-4-9(10)11(14)16/h2-5H,6-8H2,1H3,(H2,14,16)(H,17,18).
What are the key properties of 1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid?
1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63147406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).