2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid

C15H22N2O6 — CID 82218838

IUPAC2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid
SMILESCCCCC(C(=O)O)n1cc(O)c(=O)cc1CN(C)CC(=O)O
InChIInChI=1S/C15H22N2O6/c1-3-4-5-11(15(22)23)17-8-13(19)12(18)6-10(17)7-16(2)9-14(20)21/h6,8,11,19H,3-5,7,9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFPVHWOUIASOFHX-UHFFFAOYSA-N
MW326.35 g/mol
LogP0.89
Rot. Bonds9

About 2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid

2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid (PubChem CID 82218838) has the molecular formula C15H22N2O6 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid.

Molecular Properties

Compound Name2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid
PubChem CID82218838
Molecular FormulaC15H22N2O6
Molecular Weight326.35 g/mol
Exact Mass326.15
IUPAC Name2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid
SMILESCCCCC(C(=O)O)n1cc(O)c(=O)cc1CN(C)CC(=O)O
InChIInChI=1S/C15H22N2O6/c1-3-4-5-11(15(22)23)17-8-13(19)12(18)6-10(17)7-16(2)9-14(20)21/h6,8,11,19H,3-5,7,9H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyFPVHWOUIASOFHX-UHFFFAOYSA-N
XLogP0.89
TPSA120.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid?
The IUPAC name of 2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid (CID 82218838) is 2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid.
What is the SMILES notation for 2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid?
The canonical SMILES for 2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid is CCCCC(C(=O)O)n1cc(O)c(=O)cc1CN(C)CC(=O)O.
What is the InChIKey of 2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid?
The InChIKey is FPVHWOUIASOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6/c1-3-4-5-11(15(22)23)17-8-13(19)12(18)6-10(17)7-16(2)9-14(20)21/h6,8,11,19H,3-5,7,9H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid?
2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid has a molecular weight of 326.35 g/mol, XLogP of 0.89, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[carboxymethyl(methyl)amino]methyl]-5-hydroxy-4-oxo-1-pyridinyl]hexanoic acid is sourced from PubChem (CID 82218838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).