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

C16H22N2O3 — CID 102782826

IUPAC3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(C)CCc2ccccc2)C1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-12-8-11-18(14(12)15(19)20)16(21)17(2)10-9-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,19,20)
InChIKeyMSXJPUSUMMDMOF-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.08
Rot. Bonds4

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

3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 102782826) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID102782826
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(C)CCc2ccccc2)C1C(=O)O
InChIInChI=1S/C16H22N2O3/c1-12-8-11-18(14(12)15(19)20)16(21)17(2)10-9-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,19,20)
InChIKeyMSXJPUSUMMDMOF-UHFFFAOYSA-N
XLogP2.08
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781714
3-methyl-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781852
1-[3-(dimethylamino)propyl-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782672
3-methyl-1-(3-phenylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102781918
4-hydroxy-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 65487736
1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781990
3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782902
1-[(2-cyanophenyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782910
1-[cyclohexylmethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782013
1-[(3-ethoxy-3-oxopropyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782395
1-[(3-fluorophenyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782431
1-[2-(dimethylamino)ethyl-propylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782407

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 102782826) is 3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)N(C)CCc2ccccc2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MSXJPUSUMMDMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-8-11-18(14(12)15(19)20)16(21)17(2)10-9-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(2-phenylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102782826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).