2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid

C9H10N2O5 — CID 1403774

IUPAC2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c(O)c1C(N)=O
InChIInChI=1S/C9H10N2O5/c1-4-2-5(12)11(3-6(13)14)9(16)7(4)8(10)15/h2,16H,3H2,1H3,(H2,10,15)(H,13,14)
InChIKeyNPBAHGWNTOSESU-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.95
Rot. Bonds3

About 2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid

2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid (PubChem CID 1403774) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid
PubChem CID1403774
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid
SMILESCc1cc(=O)n(CC(=O)O)c(O)c1C(N)=O
InChIInChI=1S/C9H10N2O5/c1-4-2-5(12)11(3-6(13)14)9(16)7(4)8(10)15/h2,16H,3H2,1H3,(H2,10,15)(H,13,14)
InChIKeyNPBAHGWNTOSESU-UHFFFAOYSA-N
XLogP-0.95
TPSA122.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid?
The IUPAC name of 2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid (CID 1403774) is 2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid.
What is the SMILES notation for 2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid?
The canonical SMILES for 2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid is Cc1cc(=O)n(CC(=O)O)c(O)c1C(N)=O.
What is the InChIKey of 2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid?
The InChIKey is NPBAHGWNTOSESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c1-4-2-5(12)11(3-6(13)14)9(16)7(4)8(10)15/h2,16H,3H2,1H3,(H2,10,15)(H,13,14).
What are the key properties of 2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid?
2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid has a molecular weight of 226.19 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)acetic acid is sourced from PubChem (CID 1403774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).