1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

C14H18N2O3 — CID 63032105

IUPAC1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1N(C)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H18N2O3/c1-10-5-3-4-6-12(10)15(2)14(19)16-8-7-11(9-16)13(17)18/h3-6,11H,7-9H2,1-2H3,(H,17,18)
InChIKeyVOAKMMUGXVSSLE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.96
Rot. Bonds2

About 1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid

1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63032105) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID63032105
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
SMILESCc1ccccc1N(C)C(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H18N2O3/c1-10-5-3-4-6-12(10)15(2)14(19)16-8-7-11(9-16)13(17)18/h3-6,11H,7-9H2,1-2H3,(H,17,18)
InChIKeyVOAKMMUGXVSSLE-UHFFFAOYSA-N
XLogP1.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[methyl-(2-methylphenyl)carbamoyl]azepane-2-carboxylic acid
CID 64562150
1-[2-(N,2-dimethylanilino)acetyl]piperidine-4-carboxylic acid
CID 62657444
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
N-methyl-N-(2-methylphenyl)morpholine-4-carboxamide
CID 116655392
N-methyl-N-(2-methylphenyl)cyclopropanecarboxamide
CID 64593225
1-[[2-methyl-1-(2-methylphenyl)propyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122001887
1-[(4-hydroxyphenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 107736891
(3S)-1-benzoylpyrrolidine-3-carboxylic acid
CID 92614961
(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81121086
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
1-[cyclopentyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032080

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid (CID 63032105) is 1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is Cc1ccccc1N(C)C(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VOAKMMUGXVSSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-5-3-4-6-12(10)15(2)14(19)16-8-7-11(9-16)13(17)18/h3-6,11H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid?
1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(2-methylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).