2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid

C13H18N2O3 — CID 167955425

IUPAC2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1Cc1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O3/c16-12(17)8-11-5-1-2-7-15(11)9-10-4-3-6-14-13(10)18/h3-4,6,11H,1-2,5,7-9H2,(H,14,18)(H,16,17)
InChIKeyHHJHONUUQIJOAR-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.20
Rot. Bonds4

About 2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid

2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid (PubChem CID 167955425) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid
PubChem CID167955425
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1Cc1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O3/c16-12(17)8-11-5-1-2-7-15(11)9-10-4-3-6-14-13(10)18/h3-4,6,11H,1-2,5,7-9H2,(H,14,18)(H,16,17)
InChIKeyHHJHONUUQIJOAR-UHFFFAOYSA-N
XLogP1.20
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid (CID 167955425) is 2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1Cc1ccc[nH]c1=O.
What is the InChIKey of 2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid?
The InChIKey is HHJHONUUQIJOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-12(17)8-11-5-1-2-7-15(11)9-10-4-3-6-14-13(10)18/h3-4,6,11H,1-2,5,7-9H2,(H,14,18)(H,16,17).
What are the key properties of 2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid?
2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-oxo-1H-pyridin-3-yl)methyl]piperidin-2-yl]acetic acid is sourced from PubChem (CID 167955425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).