4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid

C15H22N2O4 — CID 82217704

IUPAC4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid
SMILESCc1cc(=O)c(O)c(CN2CCCC2)n1CCCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-11-9-13(18)15(21)12(10-16-6-2-3-7-16)17(11)8-4-5-14(19)20/h9,21H,2-8,10H2,1H3,(H,19,20)
InChIKeyWLTJUVCBRZXUJR-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.32
Rot. Bonds6

About 4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid

4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid (PubChem CID 82217704) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid.

Molecular Properties

Compound Name4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid
PubChem CID82217704
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid
SMILESCc1cc(=O)c(O)c(CN2CCCC2)n1CCCC(=O)O
InChIInChI=1S/C15H22N2O4/c1-11-9-13(18)15(21)12(10-16-6-2-3-7-16)17(11)8-4-5-14(19)20/h9,21H,2-8,10H2,1H3,(H,19,20)
InChIKeyWLTJUVCBRZXUJR-UHFFFAOYSA-N
XLogP1.32
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid?
The IUPAC name of 4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid (CID 82217704) is 4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid.
What is the SMILES notation for 4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid?
The canonical SMILES for 4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid is Cc1cc(=O)c(O)c(CN2CCCC2)n1CCCC(=O)O.
What is the InChIKey of 4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid?
The InChIKey is WLTJUVCBRZXUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11-9-13(18)15(21)12(10-16-6-2-3-7-16)17(11)8-4-5-14(19)20/h9,21H,2-8,10H2,1H3,(H,19,20).
What are the key properties of 4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid?
4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]butanoic acid is sourced from PubChem (CID 82217704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).