4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid

C9H15NO2 — CID 82364079

IUPAC4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CC=CCC1
InChIInChI=1S/C9H15NO2/c11-9(12)5-4-8-10-6-2-1-3-7-10/h1-2H,3-8H2,(H,11,12)
InChIKeyHLWDEHOAXQGDOZ-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.11
Rot. Bonds4

About 4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid

4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid (PubChem CID 82364079) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid
PubChem CID82364079
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid
SMILESO=C(O)CCCN1CC=CCC1
InChIInChI=1S/C9H15NO2/c11-9(12)5-4-8-10-6-2-1-3-7-10/h1-2H,3-8H2,(H,11,12)
InChIKeyHLWDEHOAXQGDOZ-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dihydroxypyrrolidin-1-yl)butanoic acid
CID 106670158
4-[4-(2-carboxyethyl)piperazin-1-yl]butanoic acid
CID 82323105
6-(aziridin-1-yl)hexanoic acid
CID 141385441
4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoic acid
CID 22683899
4-[4-(4-aminobutyl)piperazin-1-yl]butanoic acid
CID 59708799
4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-ynamide
CID 131036228
4-[2-(3,6-dihydro-2H-pyridin-1-yl)ethylcarbamoylamino]-5-phenylpentanoic acid
CID 122027923
4-(3,4-dimethylpiperidin-1-yl)butanoic acid
CID 115873359
3-(3,6-dihydro-2H-pyridin-1-yl)-N-propylpropan-1-amine
CID 114412953
4-(3-propan-2-ylazetidin-1-yl)butanoic acid
CID 79687036

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The IUPAC name of 4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid (CID 82364079) is 4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid.
What is the SMILES notation for 4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The canonical SMILES for 4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid is O=C(O)CCCN1CC=CCC1.
What is the InChIKey of 4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The InChIKey is HLWDEHOAXQGDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(12)5-4-8-10-6-2-1-3-7-10/h1-2H,3-8H2,(H,11,12).
What are the key properties of 4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid has a molecular weight of 169.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid is sourced from PubChem (CID 82364079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).