2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid

C13H18N2O2 — CID 65070819

IUPAC2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid
SMILESCC(c1ccncc1)N1CCCC1(C)C(=O)O
InChIInChI=1S/C13H18N2O2/c1-10(11-4-7-14-8-5-11)15-9-3-6-13(15,2)12(16)17/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,17)
InChIKeyRWTHAGITMATOEG-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.08
Rot. Bonds3

About 2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid

2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 65070819) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid
PubChem CID65070819
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid
SMILESCC(c1ccncc1)N1CCCC1(C)C(=O)O
InChIInChI=1S/C13H18N2O2/c1-10(11-4-7-14-8-5-11)15-9-3-6-13(15,2)12(16)17/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,17)
InChIKeyRWTHAGITMATOEG-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid (CID 65070819) is 2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid is CC(c1ccncc1)N1CCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RWTHAGITMATOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(11-4-7-14-8-5-11)15-9-3-6-13(15,2)12(16)17/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-pyridin-4-ylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65070819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).