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

C12H17N3O4 — CID 89063829

IUPAC2-amino-6-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid
SMILESCc1c(N=O)c(=O)ccn1CCCCC(N)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-8-11(14-19)10(16)5-7-15(8)6-3-2-4-9(13)12(17)18/h5,7,9H,2-4,6,13H2,1H3,(H,17,18)
InChIKeyFZPYIJUFHVRWHD-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.14
Rot. Bonds7

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

2-amino-6-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid (PubChem CID 89063829) has the molecular formula C12H17N3O4 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-amino-6-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid.

Molecular Properties

Compound Name2-amino-6-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid
PubChem CID89063829
Molecular FormulaC12H17N3O4
Molecular Weight267.29 g/mol
Exact Mass267.12
IUPAC Name2-amino-6-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid
SMILESCc1c(N=O)c(=O)ccn1CCCCC(N)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-8-11(14-19)10(16)5-7-15(8)6-3-2-4-9(13)12(17)18/h5,7,9H,2-4,6,13H2,1H3,(H,17,18)
InChIKeyFZPYIJUFHVRWHD-UHFFFAOYSA-N
XLogP1.14
TPSA114.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid?
The IUPAC name of 2-amino-6-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid (CID 89063829) is 2-amino-6-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid.
What is the SMILES notation for 2-amino-6-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid?
The canonical SMILES for 2-amino-6-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid is Cc1c(N=O)c(=O)ccn1CCCCC(N)C(=O)O.
What is the InChIKey of 2-amino-6-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid?
The InChIKey is FZPYIJUFHVRWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-11(14-19)10(16)5-7-15(8)6-3-2-4-9(13)12(17)18/h5,7,9H,2-4,6,13H2,1H3,(H,17,18).
What are the key properties of 2-amino-6-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid?
2-amino-6-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid has a molecular weight of 267.29 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-methyl-3-nitroso-4-oxo-1-pyridinyl)hexanoic acid is sourced from PubChem (CID 89063829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).