1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid

C19H20N2O4 — CID 119355401

IUPAC1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(OCc2cccc(C(=O)N3CCCC3C(=O)O)c2)cn1
InChIInChI=1S/C19H20N2O4/c1-13-7-8-16(11-20-13)25-12-14-4-2-5-15(10-14)18(22)21-9-3-6-17(21)19(23)24/h2,4-5,7-8,10-11,17H,3,6,9,12H2,1H3,(H,23,24)
InChIKeyLCXBTXWHPAXBKT-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.66
Rot. Bonds5

About 1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid

1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355401) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid
PubChem CID119355401
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(OCc2cccc(C(=O)N3CCCC3C(=O)O)c2)cn1
InChIInChI=1S/C19H20N2O4/c1-13-7-8-16(11-20-13)25-12-14-4-2-5-15(10-14)18(22)21-9-3-6-17(21)19(23)24/h2,4-5,7-8,10-11,17H,3,6,9,12H2,1H3,(H,23,24)
InChIKeyLCXBTXWHPAXBKT-UHFFFAOYSA-N
XLogP2.66
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[3-[(3-fluorophenoxy)methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119365906
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553843
1-[3-[[4-(2,4-difluorophenyl)phenoxy]methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 67150374
[4-(1-aminoethyl)piperidin-1-yl]-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methanone
CID 119517657
(6R)-6-methyl-4-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]morpholine-2-carboxylic acid
CID 120536231
[4-(1-aminoethyl)piperidin-1-yl]-[3-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methanone;dihydrochloride
CID 119517656
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
(2S)-1-[3-(methylsulfinylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365189
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid
CID 154750488
(2S)-1-[4-(pyridin-4-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365774
[3-[(4-ethoxyphenoxy)methyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1012341
(2S)-1-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-2-carboxylic acid
CID 129382737

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid (CID 119355401) is 1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid is Cc1ccc(OCc2cccc(C(=O)N3CCCC3C(=O)O)c2)cn1.
What is the InChIKey of 1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is LCXBTXWHPAXBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-7-8-16(11-20-13)25-12-14-4-2-5-15(10-14)18(22)21-9-3-6-17(21)19(23)24/h2,4-5,7-8,10-11,17H,3,6,9,12H2,1H3,(H,23,24).
What are the key properties of 1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid?
1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).