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

C10H12N2O5 — CID 19760150

IUPAC3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid
SMILESCc1cc(=O)n(CCC(=O)O)c(O)c1C(N)=O
InChIInChI=1S/C10H12N2O5/c1-5-4-6(13)12(3-2-7(14)15)10(17)8(5)9(11)16/h4,17H,2-3H2,1H3,(H2,11,16)(H,14,15)
InChIKeyUKPPEJOSIVFTHO-UHFFFAOYSA-N
MW240.21 g/mol
LogP-0.56
Rot. Bonds4

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

3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid (PubChem CID 19760150) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid
PubChem CID19760150
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid
SMILESCc1cc(=O)n(CCC(=O)O)c(O)c1C(N)=O
InChIInChI=1S/C10H12N2O5/c1-5-4-6(13)12(3-2-7(14)15)10(17)8(5)9(11)16/h4,17H,2-3H2,1H3,(H2,11,16)(H,14,15)
InChIKeyUKPPEJOSIVFTHO-UHFFFAOYSA-N
XLogP-0.56
TPSA122.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid (CID 19760150) is 3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid is Cc1cc(=O)n(CCC(=O)O)c(O)c1C(N)=O.
What is the InChIKey of 3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid?
The InChIKey is UKPPEJOSIVFTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-5-4-6(13)12(3-2-7(14)15)10(17)8(5)9(11)16/h4,17H,2-3H2,1H3,(H2,11,16)(H,14,15).
What are the key properties of 3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid?
3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid has a molecular weight of 240.21 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbamoyl-2-hydroxy-4-methyl-6-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 19760150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).