1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

C21H26N2O4 — CID 3442672

IUPAC1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCc1ccc(C(c2cccc(OC)c2OC)N2CCCC2C(=O)O)nc1
InChIInChI=1S/C21H26N2O4/c1-4-14-10-11-16(22-13-14)19(23-12-6-8-17(23)21(24)25)15-7-5-9-18(26-2)20(15)27-3/h5,7,9-11,13,17,19H,4,6,8,12H2,1-3H3,(H,24,25)
InChIKeyHFUJFRVYGOOWKW-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.30
Rot. Bonds7

About 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 3442672) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID3442672
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCCc1ccc(C(c2cccc(OC)c2OC)N2CCCC2C(=O)O)nc1
InChIInChI=1S/C21H26N2O4/c1-4-14-10-11-16(22-13-14)19(23-12-6-8-17(23)21(24)25)15-7-5-9-18(26-2)20(15)27-3/h5,7,9-11,13,17,19H,4,6,8,12H2,1-3H3,(H,24,25)
InChIKeyHFUJFRVYGOOWKW-UHFFFAOYSA-N
XLogP3.30
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4042220
1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3512892
1-[(2,3-dimethoxyphenyl)-(4-methylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 4036700
1-[(3-chlorophenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 3349109
1-[(5-methyl-2-pyridinyl)-(2,3,4-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 3966294
1-[(2,3-dimethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3966588
1-[(2,3-dimethoxyphenyl)-(3-ethoxy-4-phenylmethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5023664
1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 3978336
1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 4261190
1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 4645105
1-[(2,3-dimethoxyphenyl)-(furan-2-yl)methyl]piperidine-2-carboxylic acid
CID 5041617
1-[(2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 5173108

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (CID 3442672) is 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is CCc1ccc(C(c2cccc(OC)c2OC)N2CCCC2C(=O)O)nc1.
What is the InChIKey of 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HFUJFRVYGOOWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-4-14-10-11-16(22-13-14)19(23-12-6-8-17(23)21(24)25)15-7-5-9-18(26-2)20(15)27-3/h5,7,9-11,13,17,19H,4,6,8,12H2,1-3H3,(H,24,25).
What are the key properties of 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3442672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).