1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid

C12H14N2O4 — CID 119353905

IUPAC1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COc2cccnc2)C1
InChIInChI=1S/C12H14N2O4/c15-11(8-18-10-2-1-4-13-6-10)14-5-3-9(7-14)12(16)17/h1-2,4,6,9H,3,5,7-8H2,(H,16,17)
InChIKeyGGUFTZOFUFMVMH-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.39
Rot. Bonds4

About 1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid

1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid (PubChem CID 119353905) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
PubChem CID119353905
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)COc2cccnc2)C1
InChIInChI=1S/C12H14N2O4/c15-11(8-18-10-2-1-4-13-6-10)14-5-3-9(7-14)12(16)17/h1-2,4,6,9H,3,5,7-8H2,(H,16,17)
InChIKeyGGUFTZOFUFMVMH-UHFFFAOYSA-N
XLogP0.39
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124751798
1-[2-(3-bromophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63031622
1-[1-(2-phenoxyacetyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 119166473
1-[2-(4-cyanophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63031118
1-[2-(2,6-dichlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 119354980
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
1-[2-(4-propan-2-ylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63030415
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone
CID 120818044
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906
2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161768
1-[(3R)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125012200
1-[3-(5-bromopyrimidin-2-yl)oxypiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 122258729

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid (CID 119353905) is 1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)COc2cccnc2)C1.
What is the InChIKey of 1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GGUFTZOFUFMVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-11(8-18-10-2-1-4-13-6-10)14-5-3-9(7-14)12(16)17/h1-2,4,6,9H,3,5,7-8H2,(H,16,17).
What are the key properties of 1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid?
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119353905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).