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

C12H18N2O5 — CID 82217173

IUPAC2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
SMILESCc1cc(=O)c(O)c(CN(C)CC(=O)O)n1CCO
InChIInChI=1S/C12H18N2O5/c1-8-5-10(16)12(19)9(14(8)3-4-15)6-13(2)7-11(17)18/h5,15,19H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyRQQXJWMIDPEEOE-UHFFFAOYSA-N
MW270.28 g/mol
LogP-0.63
Rot. Bonds6

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

2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid (PubChem CID 82217173) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
PubChem CID82217173
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
SMILESCc1cc(=O)c(O)c(CN(C)CC(=O)O)n1CCO
InChIInChI=1S/C12H18N2O5/c1-8-5-10(16)12(19)9(14(8)3-4-15)6-13(2)7-11(17)18/h5,15,19H,3-4,6-7H2,1-2H3,(H,17,18)
InChIKeyRQQXJWMIDPEEOE-UHFFFAOYSA-N
XLogP-0.63
TPSA103.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid (CID 82217173) is 2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid is Cc1cc(=O)c(O)c(CN(C)CC(=O)O)n1CCO.
What is the InChIKey of 2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The InChIKey is RQQXJWMIDPEEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-8-5-10(16)12(19)9(14(8)3-4-15)6-13(2)7-11(17)18/h5,15,19H,3-4,6-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid has a molecular weight of 270.28 g/mol, XLogP of -0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-1-(2-hydroxyethyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid is sourced from PubChem (CID 82217173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).