1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

C14H18N2O5 — CID 43359718

IUPAC1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2c(C)cc(C)[nH]c2=O)C1
InChIInChI=1S/C14H18N2O5/c1-7-4-8(2)15-12(17)11(7)13(18)16-6-9(21-3)5-10(16)14(19)20/h4,9-10H,5-6H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyYBUDUDJHPJKQKY-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.31
Rot. Bonds3

About 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 43359718) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID43359718
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2c(C)cc(C)[nH]c2=O)C1
InChIInChI=1S/C14H18N2O5/c1-7-4-8(2)15-12(17)11(7)13(18)16-6-9(21-3)5-10(16)14(19)20/h4,9-10H,5-6H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyYBUDUDJHPJKQKY-UHFFFAOYSA-N
XLogP0.31
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,4R)-4-{[(2-hydroxy-4,6-dimethyl-3-pyridinyl)carbonyl]amino}-1-methyl-2-pyrrolidinecarboxylate
CID 50975210
4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 24690199
4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 24691014
4-methoxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 24694013
4-methoxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 24696320
4-hydroxy-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 24696961
1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24699380
(2S,4R)-4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28170743
(2S,4S)-4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28170745
(2R,4R)-4-hydroxy-1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28170747
(2S,4R)-4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28172872
(2S,4S)-4-hydroxy-1-(2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28172875

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 43359718) is 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)c2c(C)cc(C)[nH]c2=O)C1.
What is the InChIKey of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is YBUDUDJHPJKQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-7-4-8(2)15-12(17)11(7)13(18)16-6-9(21-3)5-10(16)14(19)20/h4,9-10H,5-6H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43359718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).