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

C18H20N2O3 — CID 3919091

IUPAC1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1C(c1cccnc1)N1CCCC1C(=O)O
InChIInChI=1S/C18H20N2O3/c1-23-16-9-3-2-7-14(16)17(13-6-4-10-19-12-13)20-11-5-8-15(20)18(21)22/h2-4,6-7,9-10,12,15,17H,5,8,11H2,1H3,(H,21,22)
InChIKeyNQICVGNSOWTRIO-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.73
Rot. Bonds5

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

1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid (PubChem CID 3919091) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
PubChem CID3919091
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
SMILESCOc1ccccc1C(c1cccnc1)N1CCCC1C(=O)O
InChIInChI=1S/C18H20N2O3/c1-23-16-9-3-2-7-14(16)17(13-6-4-10-19-12-13)20-11-5-8-15(20)18(21)22/h2-4,6-7,9-10,12,15,17H,5,8,11H2,1H3,(H,21,22)
InChIKeyNQICVGNSOWTRIO-UHFFFAOYSA-N
XLogP2.73
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4209343
1-[(2-chlorophenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5160603
1-[(4-ethoxy-3-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3899211
1-[(3,4-dichlorophenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3912118
1-[(2-methoxyphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3908293
1-[pyridin-3-yl(quinolin-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3936447
1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5173108
1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 5125172
1-[(2-methoxyphenyl)-(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4020341
1-[(3-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3926081
1-[(3,4-diethoxyphenyl)-(2-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4029516
1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 3942508

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid (CID 3919091) is 1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid is COc1ccccc1C(c1cccnc1)N1CCCC1C(=O)O.
What is the InChIKey of 1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NQICVGNSOWTRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-23-16-9-3-2-7-14(16)17(13-6-4-10-19-12-13)20-11-5-8-15(20)18(21)22/h2-4,6-7,9-10,12,15,17H,5,8,11H2,1H3,(H,21,22).
What are the key properties of 1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid?
1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3919091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).