2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid

C18H19NO6 — CID 97488576

IUPAC2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid
SMILESCOC(=O)C[C@H](c1ccccc1)c1c(O)cc(C)n(CC(=O)O)c1=O
InChIInChI=1S/C18H19NO6/c1-11-8-14(20)17(18(24)19(11)10-15(21)22)13(9-16(23)25-2)12-6-4-3-5-7-12/h3-8,13,20H,9-10H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyQOCYIHZXASHQDD-CYBMUJFWSA-N
MW345.35 g/mol
LogP1.64
Rot. Bonds6

About 2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid

2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid (PubChem CID 97488576) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid
PubChem CID97488576
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid
SMILESCOC(=O)C[C@H](c1ccccc1)c1c(O)cc(C)n(CC(=O)O)c1=O
InChIInChI=1S/C18H19NO6/c1-11-8-14(20)17(18(24)19(11)10-15(21)22)13(9-16(23)25-2)12-6-4-3-5-7-12/h3-8,13,20H,9-10H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyQOCYIHZXASHQDD-CYBMUJFWSA-N
XLogP1.64
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid (CID 97488576) is 2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid is COC(=O)C[C@H](c1ccccc1)c1c(O)cc(C)n(CC(=O)O)c1=O.
What is the InChIKey of 2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is QOCYIHZXASHQDD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19NO6/c1-11-8-14(20)17(18(24)19(11)10-15(21)22)13(9-16(23)25-2)12-6-4-3-5-7-12/h3-8,13,20H,9-10H2,1-2H3,(H,21,22)/t13-/m1/s1.
What are the key properties of 2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid?
2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 345.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-3-[(1R)-3-methoxy-3-oxo-1-phenylpropyl]-6-methyl-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 97488576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).