3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid

C11H15N3O3 — CID 107325371

IUPAC3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cccc(N2CCC(N)(C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O3/c1-17-9-4-2-3-8(13-9)14-6-5-11(12,7-14)10(15)16/h2-4H,5-7,12H2,1H3,(H,15,16)
InChIKeyVFCRSJGNCYEZOK-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.08
Rot. Bonds3

About 3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid

3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid (PubChem CID 107325371) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid
PubChem CID107325371
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid
SMILESCOc1cccc(N2CCC(N)(C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O3/c1-17-9-4-2-3-8(13-9)14-6-5-11(12,7-14)10(15)16/h2-4H,5-7,12H2,1H3,(H,15,16)
InChIKeyVFCRSJGNCYEZOK-UHFFFAOYSA-N
XLogP0.08
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(6-methoxy-2-pyridinyl)piperazine-1-carboxylic acid
CID 91502477
2-(4,4-difluoropiperidin-1-yl)-6-methoxypyridine
CID 169116672
3-amino-1-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325252
3-amino-1-(4-ethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325451
3-amino-1-(4-ethoxy-6-methylpyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325390
3-amino-1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 107325349
2-methoxy-6-(4-methylidenepiperidin-1-yl)pyridine
CID 175648058
3-amino-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 117011902
(4,4-difluoropiperidin-1-yl)-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]methanone
CID 155975856
3-amino-1-[(2-hydroxy-3-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107320977
3-amino-1-(4-methylphthalazin-1-yl)pyrrolidine-3-carboxylic acid
CID 107325364
3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325196

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid (CID 107325371) is 3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid is COc1cccc(N2CCC(N)(C(=O)O)C2)n1.
What is the InChIKey of 3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VFCRSJGNCYEZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-17-9-4-2-3-8(13-9)14-6-5-11(12,7-14)10(15)16/h2-4H,5-7,12H2,1H3,(H,15,16).
What are the key properties of 3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-methoxy-2-pyridinyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107325371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).