1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid

C11H14N2O2 — CID 82395989

IUPAC1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)C(c2ccccn2)C1
InChIInChI=1S/C11H14N2O2/c1-13-6-8(9(7-13)11(14)15)10-4-2-3-5-12-10/h2-5,8-9H,6-7H2,1H3,(H,14,15)
InChIKeyFODPOOODWWKTJQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.81
Rot. Bonds2

About 1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid

1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 82395989) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
PubChem CID82395989
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
SMILESCN1CC(C(=O)O)C(c2ccccn2)C1
InChIInChI=1S/C11H14N2O2/c1-13-6-8(9(7-13)11(14)15)10-4-2-3-5-12-10/h2-5,8-9H,6-7H2,1H3,(H,14,15)
InChIKeyFODPOOODWWKTJQ-UHFFFAOYSA-N
XLogP0.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-1-(3-fluoro-2-pyridinyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 72848072
(3R,4R)-4-pyridin-2-yl-1-(1,2,5-trimethylpyrrole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 133117712
(3S,4S)-1-(6-methylpyridine-2-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 70761952
(3R,4S)-4-(2-fluorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124675442
(3S,4S)-1-(2-methyl-2-morpholin-4-ylpropanoyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 72880889
(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 133112601
(3S,4R)-1-methyl-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 124669579
(3S,4S)-1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 70740928
(3R,4R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 133123299
(3S,4R)-4-(4-aminophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99986899
(3R,4R)-1-(2-methyl-3H-benzimidazole-5-carbonyl)-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 133112556
(3S,4S)-1-[2-(3,4-dimethyl-6-oxopyridazin-1-yl)acetyl]-4-pyridin-2-ylpyrrolidine-3-carboxylic acid
CID 70780920

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid (CID 82395989) is 1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid is CN1CC(C(=O)O)C(c2ccccn2)C1.
What is the InChIKey of 1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is FODPOOODWWKTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-13-6-8(9(7-13)11(14)15)10-4-2-3-5-12-10/h2-5,8-9H,6-7H2,1H3,(H,14,15).
What are the key properties of 1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid?
1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-pyridin-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82395989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).