4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C14H19N3O4 — CID 62996183

IUPAC4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCc2ccc(C)nc2)C1
InChIInChI=1S/C14H19N3O4/c1-9-3-4-10(6-15-9)7-16-14(20)17-8-11(21-2)5-12(17)13(18)19/h3-4,6,11-12H,5,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFFQJZRXEQBEQJR-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.77
Rot. Bonds4

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

4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 62996183) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID62996183
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)NCc2ccc(C)nc2)C1
InChIInChI=1S/C14H19N3O4/c1-9-3-4-10(6-15-9)7-16-14(20)17-8-11(21-2)5-12(17)13(18)19/h3-4,6,11-12H,5,7-8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyFFQJZRXEQBEQJR-UHFFFAOYSA-N
XLogP0.77
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 62996183) is 4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)NCc2ccc(C)nc2)C1.
What is the InChIKey of 4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FFQJZRXEQBEQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-3-4-10(6-15-9)7-16-14(20)17-8-11(21-2)5-12(17)13(18)19/h3-4,6,11-12H,5,7-8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(6-methyl-3-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62996183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).