2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid

C16H16N2O4 — CID 135294717

IUPAC2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid
SMILESCc1ccc(O)cc1-c1cnc(C(=O)NCC(=O)O)c(C)c1
InChIInChI=1S/C16H16N2O4/c1-9-3-4-12(19)6-13(9)11-5-10(2)15(17-7-11)16(22)18-8-14(20)21/h3-7,19H,8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyHPXAARDBKBLXHC-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.89
Rot. Bonds4

About 2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid

2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid (PubChem CID 135294717) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid
PubChem CID135294717
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid
SMILESCc1ccc(O)cc1-c1cnc(C(=O)NCC(=O)O)c(C)c1
InChIInChI=1S/C16H16N2O4/c1-9-3-4-12(19)6-13(9)11-5-10(2)15(17-7-11)16(22)18-8-14(20)21/h3-7,19H,8H2,1-2H3,(H,18,22)(H,20,21)
InChIKeyHPXAARDBKBLXHC-UHFFFAOYSA-N
XLogP1.89
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid (CID 135294717) is 2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid is Cc1ccc(O)cc1-c1cnc(C(=O)NCC(=O)O)c(C)c1.
What is the InChIKey of 2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid?
The InChIKey is HPXAARDBKBLXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-3-4-12(19)6-13(9)11-5-10(2)15(17-7-11)16(22)18-8-14(20)21/h3-7,19H,8H2,1-2H3,(H,18,22)(H,20,21).
What are the key properties of 2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid?
2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid has a molecular weight of 300.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-hydroxy-2-methylphenyl)-3-methylpyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 135294717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).