3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid

C11H11N3O3 — CID 139331666

IUPAC3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid
SMILESN#Cc1ccncc1OC1CCN(C(=O)O)C1
InChIInChI=1S/C11H11N3O3/c12-5-8-1-3-13-6-10(8)17-9-2-4-14(7-9)11(15)16/h1,3,6,9H,2,4,7H2,(H,15,16)
InChIKeyJMFPVXPBUSXZEX-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.08
Rot. Bonds2

About 3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid

3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid (PubChem CID 139331666) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid
PubChem CID139331666
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid
SMILESN#Cc1ccncc1OC1CCN(C(=O)O)C1
InChIInChI=1S/C11H11N3O3/c12-5-8-1-3-13-6-10(8)17-9-2-4-14(7-9)11(15)16/h1,3,6,9H,2,4,7H2,(H,15,16)
InChIKeyJMFPVXPBUSXZEX-UHFFFAOYSA-N
XLogP1.08
TPSA86.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylpiperidin-4-yl)oxypyridine-4-carbonitrile
CID 114287934
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
tert-butyl (3R)-3-[[4-(2-trimethylsilylethynyl)-3-pyridinyl]oxy]pyrrolidine-1-carboxylate
CID 175987200
3-[(3S)-1-(2-cyclopropylquinazolin-4-yl)pyrrolidin-3-yl]oxypyridine-4-carbonitrile
CID 167763875
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
3-(1-acetylpyrrolidin-3-yl)oxy-1-pyrazin-2-ylindole-7-carbonitrile
CID 170311818
3-(3,5-dimethylcyclohexyl)oxypyridine-4-carbonitrile
CID 113269473
3-[3-(3-cyanophenyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 89480712
3-[1-(2-pyridin-3-ylacetyl)pyrrolidin-3-yl]oxypyrazine-2-carbonitrile
CID 91626818
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
4-[4-[(3-ethyl-4-pyridinyl)oxy]cyclohexyl]oxypiperidine-1-carboxylic acid
CID 123196855
[2-[3-[(3-chloro-4-pyridinyl)oxy]pyrrolidine-1-carbonyl]phenyl]-phenylmethanone
CID 119100237

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid (CID 139331666) is 3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid is N#Cc1ccncc1OC1CCN(C(=O)O)C1.
What is the InChIKey of 3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid?
The InChIKey is JMFPVXPBUSXZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-5-8-1-3-13-6-10(8)17-9-2-4-14(7-9)11(15)16/h1,3,6,9H,2,4,7H2,(H,15,16).
What are the key properties of 3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid?
3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyano-3-pyridinyl)oxy]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 139331666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).