2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid

C11H12N2O6 — CID 3136477

IUPAC2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)c1cncc(O)c1)C(=O)O
InChIInChI=1S/C11H12N2O6/c14-7-3-6(4-12-5-7)10(17)13-8(11(18)19)1-2-9(15)16/h3-5,8,14H,1-2H2,(H,13,17)(H,15,16)(H,18,19)
InChIKeyXFZGYOJFPGPYCS-UHFFFAOYSA-N
MW268.22 g/mol
LogP-0.17
Rot. Bonds6

About 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid

2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid (PubChem CID 3136477) has the molecular formula C11H12N2O6 and a molecular weight of 268.22 g/mol. Its IUPAC name is 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid
PubChem CID3136477
Molecular FormulaC11H12N2O6
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid
SMILESO=C(O)CCC(NC(=O)c1cncc(O)c1)C(=O)O
InChIInChI=1S/C11H12N2O6/c14-7-3-6(4-12-5-7)10(17)13-8(11(18)19)1-2-9(15)16/h3-5,8,14H,1-2H2,(H,13,17)(H,15,16)(H,18,19)
InChIKeyXFZGYOJFPGPYCS-UHFFFAOYSA-N
XLogP-0.17
TPSA136.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid?
The IUPAC name of 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid (CID 3136477) is 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid is O=C(O)CCC(NC(=O)c1cncc(O)c1)C(=O)O.
What is the InChIKey of 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid?
The InChIKey is XFZGYOJFPGPYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6/c14-7-3-6(4-12-5-7)10(17)13-8(11(18)19)1-2-9(15)16/h3-5,8,14H,1-2H2,(H,13,17)(H,15,16)(H,18,19).
What are the key properties of 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid?
2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid has a molecular weight of 268.22 g/mol, XLogP of -0.17, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxypyridine-3-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 3136477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).