(2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

C12H13N3O2 — CID 122059695

IUPAC(2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc(N2CCC[C@H]2C(=O)O)nc1C#N
InChIInChI=1S/C12H13N3O2/c1-8-4-5-11(14-9(8)7-13)15-6-2-3-10(15)12(16)17/h4-5,10H,2-3,6H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyKUCZQHWJEJRVPI-JTQLQIEISA-N
MW231.25 g/mol
LogP1.32
Rot. Bonds2

About (2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid

(2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (PubChem CID 122059695) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
PubChem CID122059695
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name(2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc(N2CCC[C@H]2C(=O)O)nc1C#N
InChIInChI=1S/C12H13N3O2/c1-8-4-5-11(14-9(8)7-13)15-6-2-3-10(15)12(16)17/h4-5,10H,2-3,6H2,1H3,(H,16,17)/t10-/m0/s1
InChIKeyKUCZQHWJEJRVPI-JTQLQIEISA-N
XLogP1.32
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-6-cyano-2-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 133331252
(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105
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
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
6-[(2R)-2-[(1R,2R)-2-hydroxy-2-methylcyclohexyl]pyrrolidin-1-yl]-3-methylpyridine-2-carbonitrile
CID 129491578
1-(4-cyano-2-methylphenyl)pyrrolidine-2-carboxylic acid
CID 60930016
1-(2-cyano-6-methylphenyl)pyrrolidine-2-carboxylic acid
CID 107106014
1-(5-amino-6-cyano-2-pyridinyl)piperidine-2-carboxamide
CID 103467973
(2S)-1-(7,8-dichloroquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 122059729

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid (CID 122059695) is (2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is Cc1ccc(N2CCC[C@H]2C(=O)O)nc1C#N.
What is the InChIKey of (2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
The InChIKey is KUCZQHWJEJRVPI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-4-5-11(14-9(8)7-13)15-6-2-3-10(15)12(16)17/h4-5,10H,2-3,6H2,1H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-cyano-5-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122059695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).