2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid

C17H22N2O4 — CID 69483421

IUPAC2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1C=Cc1cncc(OC2CCOCC2)c1
InChIInChI=1S/C17H22N2O4/c20-17(21)19-7-1-2-14(19)4-3-13-10-16(12-18-11-13)23-15-5-8-22-9-6-15/h3-4,10-12,14-15H,1-2,5-9H2,(H,20,21)
InChIKeyXXHJDVMPHNMGDD-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.80
Rot. Bonds4

About 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid

2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid (PubChem CID 69483421) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid
PubChem CID69483421
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1C=Cc1cncc(OC2CCOCC2)c1
InChIInChI=1S/C17H22N2O4/c20-17(21)19-7-1-2-14(19)4-3-13-10-16(12-18-11-13)23-15-5-8-22-9-6-15/h3-4,10-12,14-15H,1-2,5-9H2,(H,20,21)
InChIKeyXXHJDVMPHNMGDD-UHFFFAOYSA-N
XLogP2.80
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylate
CID 90882027
3-(oxan-4-yloxy)-5-(2-pyrrolidin-3-ylethenyl)pyridine
CID 66660650
2-hydroxybutanedioic acid;3-(oxan-4-yloxy)-5-[(E)-2-[(3R)-pyrrolidin-3-yl]ethenyl]pyridine
CID 46238621
[(3S)-3-[[5-[(E,4R)-4-methylhex-1-enyl]-3-pyridinyl]oxy]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 162235472
methyl 5-[(3R)-oxolan-3-yl]oxypyridine-3-carboxylate
CID 177196861
5-(oxan-4-yloxy)pyridine-2-carboxylic acid
CID 66570796
3-(oxan-4-yloxy)benzoic acid
CID 23149060
3-[2-(1-methylpyrrolidin-2-yl)ethenyl]-5-phenylpyridine
CID 139948499
4-[2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674645
5-[(2R)-2-[(E)-2-phenylethenyl]pyrrolidine-1-carbonyl]furan-2-carboxylic acid
CID 124890677
4-[3-(3-cyclopentyloxyphenyl)prop-2-enoyl]morpholine-3-carboxylic acid
CID 126792204
(E,2R)-5-(5-cyclohexyloxy-3-pyridinyl)-N-methylpent-4-en-2-amine
CID 10107420

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid (CID 69483421) is 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1C=Cc1cncc(OC2CCOCC2)c1.
What is the InChIKey of 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid?
The InChIKey is XXHJDVMPHNMGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-17(21)19-7-1-2-14(19)4-3-13-10-16(12-18-11-13)23-15-5-8-22-9-6-15/h3-4,10-12,14-15H,1-2,5-9H2,(H,20,21).
What are the key properties of 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid?
2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid has a molecular weight of 318.37 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69483421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).