6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid

C17H18N2O3 — CID 125445677

IUPAC6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CC[C@@H](Oc3ccccc3)C2)n1
InChIInChI=1S/C17H18N2O3/c20-17(21)16-8-4-5-13(18-16)11-19-10-9-15(12-19)22-14-6-2-1-3-7-14/h1-8,15H,9-12H2,(H,20,21)/t15-/m1/s1
InChIKeyYDLLNIULXDQEMJ-OAHLLOKOSA-N
MW298.34 g/mol
LogP2.43
Rot. Bonds5

About 6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid

6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid (PubChem CID 125445677) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
PubChem CID125445677
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(CN2CC[C@@H](Oc3ccccc3)C2)n1
InChIInChI=1S/C17H18N2O3/c20-17(21)16-8-4-5-13(18-16)11-19-10-9-15(12-19)22-14-6-2-1-3-7-14/h1-8,15H,9-12H2,(H,20,21)/t15-/m1/s1
InChIKeyYDLLNIULXDQEMJ-OAHLLOKOSA-N
XLogP2.43
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid (CID 125445677) is 6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(CN2CC[C@@H](Oc3ccccc3)C2)n1.
What is the InChIKey of 6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid?
The InChIKey is YDLLNIULXDQEMJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-17(21)16-8-4-5-13(18-16)11-19-10-9-15(12-19)22-14-6-2-1-3-7-14/h1-8,15H,9-12H2,(H,20,21)/t15-/m1/s1.
What are the key properties of 6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid?
6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-3-phenoxypyrrolidin-1-yl]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 125445677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).