2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid

C17H18N2O4 — CID 24891735

IUPAC2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid
SMILESCC(C)c1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1
InChIInChI=1S/C17H18N2O4/c1-10(2)11-3-5-12(6-4-11)13-7-14(20)16(18-8-13)17(23)19-9-15(21)22/h3-8,10,20H,9H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyXZPLTNPEACHLGV-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.39
Rot. Bonds5

About 2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid

2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid (PubChem CID 24891735) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid
PubChem CID24891735
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid
SMILESCC(C)c1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1
InChIInChI=1S/C17H18N2O4/c1-10(2)11-3-5-12(6-4-11)13-7-14(20)16(18-8-13)17(23)19-9-15(21)22/h3-8,10,20H,9H2,1-2H3,(H,19,23)(H,21,22)
InChIKeyXZPLTNPEACHLGV-UHFFFAOYSA-N
XLogP2.39
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid (CID 24891735) is 2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid is CC(C)c1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1.
What is the InChIKey of 2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is XZPLTNPEACHLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-10(2)11-3-5-12(6-4-11)13-7-14(20)16(18-8-13)17(23)19-9-15(21)22/h3-8,10,20H,9H2,1-2H3,(H,19,23)(H,21,22).
What are the key properties of 2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 314.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 24891735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).