6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid

C17H26N2O4 — CID 39150940

IUPAC6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
SMILESCc1ccc(=O)n(CC(C)(C)C(=O)NCCCCCC(=O)O)c1
InChIInChI=1S/C17H26N2O4/c1-13-8-9-14(20)19(11-13)12-17(2,3)16(23)18-10-6-4-5-7-15(21)22/h8-9,11H,4-7,10,12H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyQANJGTRKTUXVFC-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.94
Rot. Bonds9

About 6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid

6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid (PubChem CID 39150940) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
PubChem CID39150940
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
SMILESCc1ccc(=O)n(CC(C)(C)C(=O)NCCCCCC(=O)O)c1
InChIInChI=1S/C17H26N2O4/c1-13-8-9-14(20)19(11-13)12-17(2,3)16(23)18-10-6-4-5-7-15(21)22/h8-9,11H,4-7,10,12H2,1-3H3,(H,18,23)(H,21,22)
InChIKeyQANJGTRKTUXVFC-UHFFFAOYSA-N
XLogP1.94
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid?
The IUPAC name of 6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid (CID 39150940) is 6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid is Cc1ccc(=O)n(CC(C)(C)C(=O)NCCCCCC(=O)O)c1.
What is the InChIKey of 6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid?
The InChIKey is QANJGTRKTUXVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-13-8-9-14(20)19(11-13)12-17(2,3)16(23)18-10-6-4-5-7-15(21)22/h8-9,11H,4-7,10,12H2,1-3H3,(H,18,23)(H,21,22).
What are the key properties of 6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid?
6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid has a molecular weight of 322.41 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,2-dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid is sourced from PubChem (CID 39150940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).