2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid

C9H10N2O4 — CID 11820421

IUPAC2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid
SMILESCC(=O)Nc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C9H10N2O4/c1-6(12)10-7-3-2-4-11(9(7)15)5-8(13)14/h2-4H,5H2,1H3,(H,10,12)(H,13,14)
InChIKeyHMUBWXLMTIMZDS-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.11
Rot. Bonds3

About 2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid

2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid (PubChem CID 11820421) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid
PubChem CID11820421
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid
SMILESCC(=O)Nc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C9H10N2O4/c1-6(12)10-7-3-2-4-11(9(7)15)5-8(13)14/h2-4H,5H2,1H3,(H,10,12)(H,13,14)
InChIKeyHMUBWXLMTIMZDS-UHFFFAOYSA-N
XLogP-0.11
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid (CID 11820421) is 2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid is CC(=O)Nc1cccn(CC(=O)O)c1=O.
What is the InChIKey of 2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid?
The InChIKey is HMUBWXLMTIMZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-6(12)10-7-3-2-4-11(9(7)15)5-8(13)14/h2-4H,5H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid?
2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid has a molecular weight of 210.19 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamido-2-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 11820421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).