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

C13H18N2O4 — CID 82217222

IUPAC2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid
SMILESCc1cc(=O)c(O)c(CN2CCCC2)n1CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-9-6-11(16)13(19)10(15(9)8-12(17)18)7-14-4-2-3-5-14/h6,19H,2-5,7-8H2,1H3,(H,17,18)
InChIKeySCYWAHFVXSROHF-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.54
Rot. Bonds4

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

2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid (PubChem CID 82217222) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid
PubChem CID82217222
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid
SMILESCc1cc(=O)c(O)c(CN2CCCC2)n1CC(=O)O
InChIInChI=1S/C13H18N2O4/c1-9-6-11(16)13(19)10(15(9)8-12(17)18)7-14-4-2-3-5-14/h6,19H,2-5,7-8H2,1H3,(H,17,18)
InChIKeySCYWAHFVXSROHF-UHFFFAOYSA-N
XLogP0.54
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid (CID 82217222) is 2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid is Cc1cc(=O)c(O)c(CN2CCCC2)n1CC(=O)O.
What is the InChIKey of 2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid?
The InChIKey is SCYWAHFVXSROHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-6-11(16)13(19)10(15(9)8-12(17)18)7-14-4-2-3-5-14/h6,19H,2-5,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid?
2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid has a molecular weight of 266.30 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-6-methyl-4-oxo-2-(pyrrolidin-1-ylmethyl)-1-pyridinyl]acetic acid is sourced from PubChem (CID 82217222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).