4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid

C12H16N2O2 — CID 66280580

IUPAC4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(N2CC(C)C(C(=O)O)C2)nc1
InChIInChI=1S/C12H16N2O2/c1-8-3-4-11(13-5-8)14-6-9(2)10(7-14)12(15)16/h3-5,9-10H,6-7H2,1-2H3,(H,15,16)
InChIKeyPXQNMTDJRPCIPT-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.55
Rot. Bonds2

About 4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid (PubChem CID 66280580) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
PubChem CID66280580
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(N2CC(C)C(C(=O)O)C2)nc1
InChIInChI=1S/C12H16N2O2/c1-8-3-4-11(13-5-8)14-6-9(2)10(7-14)12(15)16/h3-5,9-10H,6-7H2,1-2H3,(H,15,16)
InChIKeyPXQNMTDJRPCIPT-UHFFFAOYSA-N
XLogP1.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid (CID 66280580) is 4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid is Cc1ccc(N2CC(C)C(C(=O)O)C2)nc1.
What is the InChIKey of 4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PXQNMTDJRPCIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-3-4-11(13-5-8)14-6-9(2)10(7-14)12(15)16/h3-5,9-10H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66280580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).