2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid

C10H12N2O6 — CID 66173796

IUPAC2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C10H12N2O6/c1-10(18,9(16)17)4-11-8(15)5-2-6(13)12-7(14)3-5/h2-3,18H,4H2,1H3,(H,11,15)(H,16,17)(H2,12,13,14)
InChIKeyIJUDPKZIEJHKEJ-UHFFFAOYSA-N
MW256.21 g/mol
LogP-1.35
Rot. Bonds4

About 2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid

2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 66173796) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID66173796
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(O)(CNC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O
InChIInChI=1S/C10H12N2O6/c1-10(18,9(16)17)4-11-8(15)5-2-6(13)12-7(14)3-5/h2-3,18H,4H2,1H3,(H,11,15)(H,16,17)(H2,12,13,14)
InChIKeyIJUDPKZIEJHKEJ-UHFFFAOYSA-N
XLogP-1.35
TPSA139.72 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 5-1.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid (CID 66173796) is 2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid is CC(O)(CNC(=O)c1cc(O)[nH]c(=O)c1)C(=O)O.
What is the InChIKey of 2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is IJUDPKZIEJHKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6/c1-10(18,9(16)17)4-11-8(15)5-2-6(13)12-7(14)3-5/h2-3,18H,4H2,1H3,(H,11,15)(H,16,17)(H2,12,13,14).
What are the key properties of 2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid?
2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 256.21 g/mol, XLogP of -1.35, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 66173796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).