2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid

C17H20N2O4 — CID 94960221

IUPAC2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
SMILESCc1ccc(Cn2cc(O)c(=O)cc2CN(C)CC(=O)O)cc1
InChIInChI=1S/C17H20N2O4/c1-12-3-5-13(6-4-12)8-19-10-16(21)15(20)7-14(19)9-18(2)11-17(22)23/h3-7,10,21H,8-9,11H2,1-2H3,(H,22,23)
InChIKeyICUJPNHZIGWXAZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.43
Rot. Bonds6

About 2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid

2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid (PubChem CID 94960221) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
PubChem CID94960221
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
SMILESCc1ccc(Cn2cc(O)c(=O)cc2CN(C)CC(=O)O)cc1
InChIInChI=1S/C17H20N2O4/c1-12-3-5-13(6-4-12)8-19-10-16(21)15(20)7-14(19)9-18(2)11-17(22)23/h3-7,10,21H,8-9,11H2,1-2H3,(H,22,23)
InChIKeyICUJPNHZIGWXAZ-UHFFFAOYSA-N
XLogP1.43
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid (CID 94960221) is 2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid is Cc1ccc(Cn2cc(O)c(=O)cc2CN(C)CC(=O)O)cc1.
What is the InChIKey of 2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The InChIKey is ICUJPNHZIGWXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-3-5-13(6-4-12)8-19-10-16(21)15(20)7-14(19)9-18(2)11-17(22)23/h3-7,10,21H,8-9,11H2,1-2H3,(H,22,23).
What are the key properties of 2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid has a molecular weight of 316.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-hydroxy-1-[(4-methylphenyl)methyl]-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid is sourced from PubChem (CID 94960221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).