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

C9H15NO2 — CID 82364065

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CC=CCC1
InChIInChI=1S/C9H15NO2/c1-2-8(9(11)12)10-6-4-3-5-7-10/h3-4,8H,2,5-7H2,1H3,(H,11,12)
InChIKeyOSIJBWJTJBWQBE-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.11
Rot. Bonds3

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

2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid (PubChem CID 82364065) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid
PubChem CID82364065
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CC=CCC1
InChIInChI=1S/C9H15NO2/c1-2-8(9(11)12)10-6-4-3-5-7-10/h3-4,8H,2,5-7H2,1H3,(H,11,12)
InChIKeyOSIJBWJTJBWQBE-UHFFFAOYSA-N
XLogP1.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

(2,6-dimethoxy-4-methylphenyl) 2-(3,6-dihydro-2H-pyridin-1-yl)butanoate
CID 11726931
(2R)-2-piperazin-1-ylbutanoic acid
CID 7200835
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)butanoic acid
CID 82364097
2-(azocan-1-yl)butanoic acid
CID 43808973
(2R)-2-[(3R,4S)-3-ethyl-4-hydroxypiperidin-1-yl]butanoic acid
CID 129445747
2-(2,5-dihydropyrrol-1-yl)-3-methylpentanoic acid
CID 64681872
2-(1,4-diazepan-1-yl)butanoic acid
CID 60992815
(2S)-2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]butanoic acid
CID 129494733
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109
(2S)-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]butanoic acid
CID 129413724
(2R)-2-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]butanoic acid
CID 129359488
2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride
CID 138695310

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid (CID 82364065) is 2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid is CCC(C(=O)O)N1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
The InChIKey is OSIJBWJTJBWQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-8(9(11)12)10-6-4-3-5-7-10/h3-4,8H,2,5-7H2,1H3,(H,11,12).
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid?
2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid has a molecular weight of 169.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyridin-1-yl)butanoic acid is sourced from PubChem (CID 82364065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).