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

C15H21N3O3 — CID 102781714

IUPAC3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(C)CCc2ccccn2)C1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-11-6-10-18(13(11)14(19)20)15(21)17(2)9-7-12-5-3-4-8-16-12/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyIAFRVBWXSVZDGL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.47
Rot. Bonds4

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

3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 102781714) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID102781714
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)N(C)CCc2ccccn2)C1C(=O)O
InChIInChI=1S/C15H21N3O3/c1-11-6-10-18(13(11)14(19)20)15(21)17(2)9-7-12-5-3-4-8-16-12/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,19,20)
InChIKeyIAFRVBWXSVZDGL-UHFFFAOYSA-N
XLogP1.47
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102781852
1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61195359
3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782902
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
2-[methyl(2-pyridin-2-ylethyl)amino]cyclopropane-1-carboxylic acid
CID 117042811
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158
1-[2-methoxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781990
N-methyl-N-(2-pyridin-2-ylethyl)prop-1-en-2-amine
CID 178172839
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661
4-hydroxy-1-[methyl(pyridin-2-ylmethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61203228
phenyl N-methyl-N-(2-pyridin-2-ylethyl)carbamate
CID 60681158
benzyl (2S)-3-methyl-2-[methyl-[(2R,3R)-3-methyl-2-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]amino]butanoate
CID 177219826

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid (CID 102781714) is 3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is CC1CCN(C(=O)N(C)CCc2ccccn2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IAFRVBWXSVZDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-6-10-18(13(11)14(19)20)15(21)17(2)9-7-12-5-3-4-8-16-12/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[methyl(2-pyridin-2-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102781714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).