2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid

C11H14N2O4 — CID 43356354

IUPAC2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCn1ccccc1=O
InChIInChI=1S/C11H14N2O4/c1-12(8-11(16)17)9(14)5-7-13-6-3-2-4-10(13)15/h2-4,6H,5,7-8H2,1H3,(H,16,17)
InChIKeyUUXSHPNOCFJVOW-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.22
Rot. Bonds5

About 2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid

2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid (PubChem CID 43356354) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid
PubChem CID43356354
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CCn1ccccc1=O
InChIInChI=1S/C11H14N2O4/c1-12(8-11(16)17)9(14)5-7-13-6-3-2-4-10(13)15/h2-4,6H,5,7-8H2,1H3,(H,16,17)
InChIKeyUUXSHPNOCFJVOW-UHFFFAOYSA-N
XLogP-0.22
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid (CID 43356354) is 2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid is CN(CC(=O)O)C(=O)CCn1ccccc1=O.
What is the InChIKey of 2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid?
The InChIKey is UUXSHPNOCFJVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-12(8-11(16)17)9(14)5-7-13-6-3-2-4-10(13)15/h2-4,6H,5,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid?
2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid has a molecular weight of 238.24 g/mol, XLogP of -0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[3-(2-oxo-1-pyridinyl)propanoyl]amino]acetic acid is sourced from PubChem (CID 43356354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).