4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid

C11H19NO2 — CID 90989341

IUPAC4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
SMILESCC1=CCC(C)N(CCCC(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-9-5-6-10(2)12(8-9)7-3-4-11(13)14/h5,10H,3-4,6-8H2,1-2H3,(H,13,14)
InChIKeyWXMDICCRFLCONY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.89
Rot. Bonds4

About 4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid

4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid (PubChem CID 90989341) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
PubChem CID90989341
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
SMILESCC1=CCC(C)N(CCCC(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-9-5-6-10(2)12(8-9)7-3-4-11(13)14/h5,10H,3-4,6-8H2,1-2H3,(H,13,14)
InChIKeyWXMDICCRFLCONY-UHFFFAOYSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.89
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

2-(4-Methyl-1,2,5,6-tetrahydro-1-pyridyl)-3-methylbutanoic acid
CID 20461196
4-(1-Methylpiperidin-4-ylidene)butanoic acid
CID 20736391
2-(1-Methyl-2,5-dihydropyrrol-3-yl)acetic acid
CID 59878527
4-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 82364079
2-methylidene-4-[methyl-[(2E)-octa-2,7-dienyl]amino]butanoic acid
CID 87090693
2-methylidene-4-[methyl-[(3E)-octa-3,7-dienyl]amino]butanoic acid
CID 87090703
2-methylidene-4-[methyl-[(2Z)-octa-2,7-dienyl]amino]butanoic acid
CID 87090731
2-Methylidene-4-[methyl(octa-2,6-dienyl)amino]butanoic acid
CID 87090780
2-methylidene-4-[methyl-[(4Z)-octa-4,7-dienyl]amino]butanoic acid
CID 87090908
2-(2-Methyl-1,2,3,6-tetrahydropyridin-5-yl)acetic acid
CID 89503211
ethane;1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 90696525
2-Methylidene-4-[methyl(octa-3,7-dienyl)amino]butanoic acid
CID 90948238

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The IUPAC name of 4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid (CID 90989341) is 4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid.
What is the SMILES notation for 4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The canonical SMILES for 4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid is CC1=CCC(C)N(CCCC(=O)O)C1.
What is the InChIKey of 4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The InChIKey is WXMDICCRFLCONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9-5-6-10(2)12(8-9)7-3-4-11(13)14/h5,10H,3-4,6-8H2,1-2H3,(H,13,14).
What are the key properties of 4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid is sourced from PubChem (CID 90989341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).