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

C7H11NO2 — CID 57240918

IUPAC2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid
SMILESO=C(O)CN1CC=CCC1
InChIInChI=1S/C7H11NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-2H,3-6H2,(H,9,10)
InChIKeyDVBSECCFBPJRQL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.33
Rot. Bonds2

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

2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid (PubChem CID 57240918) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid
PubChem CID57240918
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid
SMILESO=C(O)CN1CC=CCC1
InChIInChI=1S/C7H11NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-2H,3-6H2,(H,9,10)
InChIKeyDVBSECCFBPJRQL-UHFFFAOYSA-N
XLogP0.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.33
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 2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid?
The IUPAC name of 2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid (CID 57240918) is 2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid?
The canonical SMILES for 2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid is O=C(O)CN1CC=CCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid?
The InChIKey is DVBSECCFBPJRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c9-7(10)6-8-4-2-1-3-5-8/h1-2H,3-6H2,(H,9,10).
What are the key properties of 2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid?
2-(3,6-dihydro-2H-pyridin-1-yl)acetic acid has a molecular weight of 141.17 g/mol, XLogP of 0.33, 2 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)acetic acid is sourced from PubChem (CID 57240918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).