(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid

C13H16N2O3 — CID 107147142

IUPAC(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccnc1CC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C13H16N2O3/c1-9-4-2-6-14-10(9)8-12(16)15-7-3-5-11(15)13(17)18/h2,4,6,11H,3,5,7-8H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyZMHOKBQTQWXJIG-NSHDSACASA-N
MW248.28 g/mol
LogP1.01
Rot. Bonds3

About (2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid

(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 107147142) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID107147142
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccnc1CC(=O)N1CCC[C@H]1C(=O)O
InChIInChI=1S/C13H16N2O3/c1-9-4-2-6-14-10(9)8-12(16)15-7-3-5-11(15)13(17)18/h2,4,6,11H,3,5,7-8H2,1H3,(H,17,18)/t11-/m0/s1
InChIKeyZMHOKBQTQWXJIG-NSHDSACASA-N
XLogP1.01
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methyl-2-pyridinyl)acetyl]azepane-2-carboxylic acid
CID 107147224
1-[2-(3-methyl-2-pyridinyl)acetyl]piperidine-3-carboxylic acid
CID 107147077
(2S)-1-[2-(6-methyl-3-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid
CID 119364937
1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62339102
1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64560694
(2S)-1-[2-(1-methylindazol-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 122111228
1-[2-(2,6-dimethylanilino)acetyl]pyrrolidine-2-carboxylic acid
CID 119356104
(2S)-1-(3-pyridin-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 81453761
1-[2-[2-[2-(2-carboxypyrrolidin-1-yl)-2-oxoethoxy]-3-methylphenoxy]acetyl]pyrrolidine-2-carboxylic acid
CID 22717245
1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 102553989
(2R)-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]piperidine-2-carboxylic acid
CID 99713717
N-ethyl-1-[2-(3-methyl-2-pyridinyl)acetyl]piperazine-2-carboxamide
CID 107148474

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid (CID 107147142) is (2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid is Cc1cccnc1CC(=O)N1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is ZMHOKBQTQWXJIG-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-4-2-6-14-10(9)8-12(16)15-7-3-5-11(15)13(17)18/h2,4,6,11H,3,5,7-8H2,1H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(3-methyl-2-pyridinyl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 107147142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).