1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid

C24H24N2O3 — CID 4209343

IUPAC1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1cccnc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O3/c27-24(28)21-12-7-15-26(21)23(19-10-6-14-25-16-19)20-11-4-5-13-22(20)29-17-18-8-2-1-3-9-18/h1-6,8-11,13-14,16,21,23H,7,12,15,17H2,(H,27,28)
InChIKeyWSSMQYSLRRRLBF-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.30
Rot. Bonds7

About 1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid

1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid (PubChem CID 4209343) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
PubChem CID4209343
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(c1cccnc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H24N2O3/c27-24(28)21-12-7-15-26(21)23(19-10-6-14-25-16-19)20-11-4-5-13-22(20)29-17-18-8-2-1-3-9-18/h1-6,8-11,13-14,16,21,23H,7,12,15,17H2,(H,27,28)
InChIKeyWSSMQYSLRRRLBF-UHFFFAOYSA-N
XLogP4.30
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3919091
1-[(3-methoxyphenyl)-(2-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3971301
1-[(2-phenylmethoxyphenyl)-thiophen-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4664457
1-[(2-phenylmethoxyphenyl)-[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 4533135
1-[(2-chlorophenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5160603
1-[(2-phenylmethoxyphenyl)-thiophen-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4209340
1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3936447
1-[(4-ethoxy-3-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3899211
1-[(2-phenylmethoxyphenyl)-thiophen-2-ylmethyl]piperidine-2-carboxylic acid
CID 3570233
1-[(5-bromothiophen-2-yl)-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4024194
1-[(4-chlorophenyl)-(2-ethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3290695
1-[(2,4-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3570235

Frequently Asked Questions

What is the IUPAC name of 1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid (CID 4209343) is 1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(c1cccnc1)c1ccccc1OCc1ccccc1.
What is the InChIKey of 1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is WSSMQYSLRRRLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-24(28)21-12-7-15-26(21)23(19-10-6-14-25-16-19)20-11-4-5-13-22(20)29-17-18-8-2-1-3-9-18/h1-6,8-11,13-14,16,21,23H,7,12,15,17H2,(H,27,28).
What are the key properties of 1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 388.47 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 4209343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).