5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid

C16H28N2O3 — CID 114460562

IUPAC5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H28N2O3/c1-12(6-5-7-14(19)20)17-15(21)18-10-8-13(9-11-18)16(2,3)4/h8,12H,5-7,9-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyGYISJMOSWYPXFN-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.02
Rot. Bonds5

About 5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid

5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid (PubChem CID 114460562) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid
PubChem CID114460562
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C16H28N2O3/c1-12(6-5-7-14(19)20)17-15(21)18-10-8-13(9-11-18)16(2,3)4/h8,12H,5-7,9-11H2,1-4H3,(H,17,21)(H,19,20)
InChIKeyGYISJMOSWYPXFN-UHFFFAOYSA-N
XLogP3.02
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]hexanoic acid
CID 114490404
4-tert-butyl-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774734
(2S)-2-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
CID 104929060
(2S)-2-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]butanoic acid
CID 104929075
2-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 114460587
5-(piperidine-1-carbonylamino)hexanoic acid
CID 82854268
5-[(3-hydroxypiperidine-1-carbonyl)amino]hexanoic acid
CID 82848661
4-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]butanoic acid
CID 114490438
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)amino]hexanoic acid
CID 82846094
5-[(4-cyclopropylpiperazine-1-carbonyl)amino]hexanoic acid
CID 82847997
5-oxo-5-[[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]amino]pentanoic acid
CID 114490302
5-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]hexanoic acid
CID 82848014

Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid?
The IUPAC name of 5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid (CID 114460562) is 5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid?
The canonical SMILES for 5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid is CC(CCCC(=O)O)NC(=O)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of 5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid?
The InChIKey is GYISJMOSWYPXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(6-5-7-14(19)20)17-15(21)18-10-8-13(9-11-18)16(2,3)4/h8,12H,5-7,9-11H2,1-4H3,(H,17,21)(H,19,20).
What are the key properties of 5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid?
5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid has a molecular weight of 296.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 114460562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).