2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid

C15H22N2O4 — CID 82218083

IUPAC2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid
SMILESCC1CCCCN1Cc1cc(=O)c(O)cn1C(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-10-5-3-4-6-16(10)8-12-7-13(18)14(19)9-17(12)11(2)15(20)21/h7,9-11,19H,3-6,8H2,1-2H3,(H,20,21)
InChIKeyNLTCJAHNJXDMNZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.57
Rot. Bonds4

About 2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid

2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid (PubChem CID 82218083) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid
PubChem CID82218083
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid
SMILESCC1CCCCN1Cc1cc(=O)c(O)cn1C(C)C(=O)O
InChIInChI=1S/C15H22N2O4/c1-10-5-3-4-6-16(10)8-12-7-13(18)14(19)9-17(12)11(2)15(20)21/h7,9-11,19H,3-6,8H2,1-2H3,(H,20,21)
InChIKeyNLTCJAHNJXDMNZ-UHFFFAOYSA-N
XLogP1.57
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of 2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid (CID 82218083) is 2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid is CC1CCCCN1Cc1cc(=O)c(O)cn1C(C)C(=O)O.
What is the InChIKey of 2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid?
The InChIKey is NLTCJAHNJXDMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-5-3-4-6-16(10)8-12-7-13(18)14(19)9-17(12)11(2)15(20)21/h7,9-11,19H,3-6,8H2,1-2H3,(H,20,21).
What are the key properties of 2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid?
2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-2-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 82218083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).