1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

C13H16N2O4 — CID 83192816

IUPAC1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1cc(C)nc(CN2CC(C(=O)O)CC2=O)c1
InChIInChI=1S/C13H16N2O4/c1-8-3-11(19-2)5-10(14-8)7-15-6-9(13(17)18)4-12(15)16/h3,5,9H,4,6-7H2,1-2H3,(H,17,18)
InChIKeyINBWSKRIPSTCEZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.83
Rot. Bonds4

About 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 83192816) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID83192816
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1cc(C)nc(CN2CC(C(=O)O)CC2=O)c1
InChIInChI=1S/C13H16N2O4/c1-8-3-11(19-2)5-10(14-8)7-15-6-9(13(17)18)4-12(15)16/h3,5,9H,4,6-7H2,1-2H3,(H,17,18)
InChIKeyINBWSKRIPSTCEZ-UHFFFAOYSA-N
XLogP0.83
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690904
(3S)-1-[(3-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 9146852
1-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 11254461
4-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]cyclohexane-1-carboxylic acid
CID 114451198
(3R)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 972679
1-cyclopropyl-3-(4-methoxy-6-methyl-2-pyridinyl)propan-1-one
CID 82893033
(3S)-1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 95138021
1-[(1,5-dimethylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 106033262
4-ethyl-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 114431472
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 82884161
cis-(1R,3S)-3-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679068
1-[(3-fluoro-5-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691160

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 83192816) is 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid is COc1cc(C)nc(CN2CC(C(=O)O)CC2=O)c1.
What is the InChIKey of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is INBWSKRIPSTCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-3-11(19-2)5-10(14-8)7-15-6-9(13(17)18)4-12(15)16/h3,5,9H,4,6-7H2,1-2H3,(H,17,18).
What are the key properties of 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83192816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).