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

C14H24N2O3 — CID 106315903

IUPAC3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
SMILESCC1=CCCN(C(=O)N(CCC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H24N2O3/c1-11-6-5-8-15(10-11)13(19)16(14(2,3)4)9-7-12(17)18/h6H,5,7-10H2,1-4H3,(H,17,18)
InChIKeyGNVKPYJQARVLMT-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.33
Rot. Bonds3

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

3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid (PubChem CID 106315903) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
PubChem CID106315903
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid
SMILESCC1=CCCN(C(=O)N(CCC(=O)O)C(C)(C)C)C1
InChIInChI=1S/C14H24N2O3/c1-11-6-5-8-15(10-11)13(19)16(14(2,3)4)9-7-12(17)18/h6H,5,7-10H2,1-4H3,(H,17,18)
InChIKeyGNVKPYJQARVLMT-UHFFFAOYSA-N
XLogP2.33
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid (CID 106315903) is 3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid is CC1=CCCN(C(=O)N(CCC(=O)O)C(C)(C)C)C1.
What is the InChIKey of 3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
The InChIKey is GNVKPYJQARVLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11-6-5-8-15(10-11)13(19)16(14(2,3)4)9-7-12(17)18/h6H,5,7-10H2,1-4H3,(H,17,18).
What are the key properties of 3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid?
3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid has a molecular weight of 268.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106315903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).