2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid

C10H10N2O6 — CID 63651939

IUPAC2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H10N2O6/c13-7-2-1-6(3-11-7)10(18)12(4-8(14)15)5-9(16)17/h1-3H,4-5H2,(H,11,13)(H,14,15)(H,16,17)
InChIKeyRPOIZZXJQUTYBJ-UHFFFAOYSA-N
MW254.20 g/mol
LogP-1.01
Rot. Bonds5

About 2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid

2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid (PubChem CID 63651939) has the molecular formula C10H10N2O6 and a molecular weight of 254.20 g/mol. Its IUPAC name is 2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
PubChem CID63651939
Molecular FormulaC10H10N2O6
Molecular Weight254.20 g/mol
Exact Mass254.05
IUPAC Name2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H10N2O6/c13-7-2-1-6(3-11-7)10(18)12(4-8(14)15)5-9(16)17/h1-3H,4-5H2,(H,11,13)(H,14,15)(H,16,17)
InChIKeyRPOIZZXJQUTYBJ-UHFFFAOYSA-N
XLogP-1.01
TPSA127.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid (CID 63651939) is 2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The InChIKey is RPOIZZXJQUTYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6/c13-7-2-1-6(3-11-7)10(18)12(4-8(14)15)5-9(16)17/h1-3H,4-5H2,(H,11,13)(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid has a molecular weight of 254.20 g/mol, XLogP of -1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 63651939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).