(2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid

C11H14N2O4 — CID 44604219

IUPAC(2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid
SMILESCC[C@@H](C(=O)O)n1cccc(NC(C)=O)c1=O
InChIInChI=1S/C11H14N2O4/c1-3-9(11(16)17)13-6-4-5-8(10(13)15)12-7(2)14/h4-6,9H,3H2,1-2H3,(H,12,14)(H,16,17)/t9-/m0/s1
InChIKeyGUYNFOUSOJDSPF-VIFPVBQESA-N
MW238.24 g/mol
LogP0.84
Rot. Bonds4

About (2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid

(2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid (PubChem CID 44604219) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name(2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid
PubChem CID44604219
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name(2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid
SMILESCC[C@@H](C(=O)O)n1cccc(NC(C)=O)c1=O
InChIInChI=1S/C11H14N2O4/c1-3-9(11(16)17)13-6-4-5-8(10(13)15)12-7(2)14/h4-6,9H,3H2,1-2H3,(H,12,14)(H,16,17)/t9-/m0/s1
InChIKeyGUYNFOUSOJDSPF-VIFPVBQESA-N
XLogP0.84
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid?
The IUPAC name of (2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid (CID 44604219) is (2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid.
What is the SMILES notation for (2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid?
The canonical SMILES for (2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid is CC[C@@H](C(=O)O)n1cccc(NC(C)=O)c1=O.
What is the InChIKey of (2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid?
The InChIKey is GUYNFOUSOJDSPF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-9(11(16)17)13-6-4-5-8(10(13)15)12-7(2)14/h4-6,9H,3H2,1-2H3,(H,12,14)(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid?
(2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-acetamido-2-oxo-1-pyridinyl)butanoic acid is sourced from PubChem (CID 44604219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).