1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid

C15H22N2O3 — CID 102785136

IUPAC1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOc1c(C)cnc(CN2CCC(C)C2C(=O)O)c1C
InChIInChI=1S/C15H22N2O3/c1-9-5-6-17(13(9)15(18)19)8-12-11(3)14(20-4)10(2)7-16-12/h7,9,13H,5-6,8H2,1-4H3,(H,18,19)
InChIKeyFVGUJFPIKVNSGB-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.00
Rot. Bonds4

About 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102785136) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102785136
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCOc1c(C)cnc(CN2CCC(C)C2C(=O)O)c1C
InChIInChI=1S/C15H22N2O3/c1-9-5-6-17(13(9)15(18)19)8-12-11(3)14(20-4)10(2)7-16-12/h7,9,13H,5-6,8H2,1-4H3,(H,18,19)
InChIKeyFVGUJFPIKVNSGB-UHFFFAOYSA-N
XLogP2.00
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 63032394
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpiperidin-4-ol
CID 114502552
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62028233
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-ol
CID 62021333
[(2S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 57091133
[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 62016087
methyl 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 62025945
methyl (2S,4R)-4-hydroxy-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 56786277
cis-(1R,2S)-N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-4-yl]-N,2-dimethylcyclopropane-1-carboxamide
CID 95326720
[(2R)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-2-yl]-morpholin-4-ylmethanone
CID 95619935
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride
CID 119916634
3-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 107072167

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102785136) is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid is COc1c(C)cnc(CN2CCC(C)C2C(=O)O)c1C.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is FVGUJFPIKVNSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9-5-6-17(13(9)15(18)19)8-12-11(3)14(20-4)10(2)7-16-12/h7,9,13H,5-6,8H2,1-4H3,(H,18,19).
What are the key properties of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 278.35 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102785136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).