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

C16H24N2O4 — CID 39150932

IUPAC6-[[2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
SMILESCC(C)(Cn1ccccc1=O)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C16H24N2O4/c1-16(2,12-18-11-7-5-8-13(18)19)15(22)17-10-6-3-4-9-14(20)21/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyRRJPHRNZCLSMSQ-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.64
Rot. Bonds9

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

6-[[2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid (PubChem CID 39150932) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-[[2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
PubChem CID39150932
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name6-[[2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
SMILESCC(C)(Cn1ccccc1=O)C(=O)NCCCCCC(=O)O
InChIInChI=1S/C16H24N2O4/c1-16(2,12-18-11-7-5-8-13(18)19)15(22)17-10-6-3-4-9-14(20)21/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,17,22)(H,20,21)
InChIKeyRRJPHRNZCLSMSQ-UHFFFAOYSA-N
XLogP1.64
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.64
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-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid?
The IUPAC name of 6-[[2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid (CID 39150932) is 6-[[2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid.
What is the SMILES notation for 6-[[2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid?
The canonical SMILES for 6-[[2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid is CC(C)(Cn1ccccc1=O)C(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[[2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid?
The InChIKey is RRJPHRNZCLSMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,12-18-11-7-5-8-13(18)19)15(22)17-10-6-3-4-9-14(20)21/h5,7-8,11H,3-4,6,9-10,12H2,1-2H3,(H,17,22)(H,20,21).
What are the key properties of 6-[[2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid?
6-[[2,2-dimethyl-3-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid has a molecular weight of 308.38 g/mol, XLogP of 1.64, 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-(2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid is sourced from PubChem (CID 39150932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).