4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid

C14H18N2O4 — CID 63719962

IUPAC4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)CCn2ccccc2=O)CC1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-10-8-16(9-11(10)14(19)20)13(18)5-7-15-6-3-2-4-12(15)17/h2-4,6,10-11H,5,7-9H2,1H3,(H,19,20)
InChIKeyLLJILXXINVAQQR-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.42
Rot. Bonds4

About 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63719962) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid
PubChem CID63719962
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)CCn2ccccc2=O)CC1C(=O)O
InChIInChI=1S/C14H18N2O4/c1-10-8-16(9-11(10)14(19)20)13(18)5-7-15-6-3-2-4-12(15)17/h2-4,6,10-11H,5,7-9H2,1H3,(H,19,20)
InChIKeyLLJILXXINVAQQR-UHFFFAOYSA-N
XLogP0.42
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid (CID 63719962) is 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid is CC1CN(C(=O)CCn2ccccc2=O)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LLJILXXINVAQQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-10-8-16(9-11(10)14(19)20)13(18)5-7-15-6-3-2-4-12(15)17/h2-4,6,10-11H,5,7-9H2,1H3,(H,19,20).
What are the key properties of 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63719962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).