(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

C11H14N2O2 — CID 120964948

IUPAC(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1cccc(N2CCC[C@H]2C(=O)O)n1
InChIInChI=1S/C11H14N2O2/c1-8-4-2-6-10(12-8)13-7-3-5-9(13)11(14)15/h2,4,6,9H,3,5,7H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyZHJFIOLBBORNLR-VIFPVBQESA-N
MW206.25 g/mol
LogP1.44
Rot. Bonds2

About (2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 120964948) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID120964948
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1cccc(N2CCC[C@H]2C(=O)O)n1
InChIInChI=1S/C11H14N2O2/c1-8-4-2-6-10(12-8)13-7-3-5-9(13)11(14)15/h2,4,6,9H,3,5,7H2,1H3,(H,14,15)/t9-/m0/s1
InChIKeyZHJFIOLBBORNLR-VIFPVBQESA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177634
[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 86797169
1-(6-methylpyridazin-3-yl)pyrrolidine-2-carboxylic acid
CID 82236002
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 120965085
(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
1-(6-carbamoyl-2-pyridinyl)azepane-2-carboxylic acid
CID 64590146
(2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059695
1-(8-bromoquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 122058851
1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290680

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 120964948) is (2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is Cc1cccc(N2CCC[C@H]2C(=O)O)n1.
What is the InChIKey of (2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZHJFIOLBBORNLR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-4-2-6-10(12-8)13-7-3-5-9(13)11(14)15/h2,4,6,9H,3,5,7H2,1H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 206.25 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120964948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).