2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid

C12H18N2O4 — CID 25205018

IUPAC2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
SMILESCc1c(O)c(=O)ccn1CCCCC(N)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-8-11(16)10(15)5-7-14(8)6-3-2-4-9(13)12(17)18/h5,7,9,16H,2-4,6,13H2,1H3,(H,17,18)
InChIKeyXREGTYIADDPJMA-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.44
Rot. Bonds6

About 2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid

2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid (PubChem CID 25205018) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
PubChem CID25205018
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
SMILESCc1c(O)c(=O)ccn1CCCCC(N)C(=O)O
InChIInChI=1S/C12H18N2O4/c1-8-11(16)10(15)5-7-14(8)6-3-2-4-9(13)12(17)18/h5,7,9,16H,2-4,6,13H2,1H3,(H,17,18)
InChIKeyXREGTYIADDPJMA-UHFFFAOYSA-N
XLogP0.44
TPSA105.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
The IUPAC name of 2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid (CID 25205018) is 2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid.
What is the SMILES notation for 2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
The canonical SMILES for 2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid is Cc1c(O)c(=O)ccn1CCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
The InChIKey is XREGTYIADDPJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8-11(16)10(15)5-7-14(8)6-3-2-4-9(13)12(17)18/h5,7,9,16H,2-4,6,13H2,1H3,(H,17,18).
What are the key properties of 2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid?
2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid is sourced from PubChem (CID 25205018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).