(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid

C12H14N2O5 — CID 141307794

IUPAC(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
SMILESCC(=O)c1cccn(CC(=O)N[C@@H](C)C(=O)O)c1=O
InChIInChI=1S/C12H14N2O5/c1-7(12(18)19)13-10(16)6-14-5-3-4-9(8(2)15)11(14)17/h3-5,7H,6H2,1-2H3,(H,13,16)(H,18,19)/t7-/m0/s1
InChIKeyHEDZWPMCCROMIC-ZETCQYMHSA-N
MW266.25 g/mol
LogP-0.36
Rot. Bonds5

About (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid

(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid (PubChem CID 141307794) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
PubChem CID141307794
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid
SMILESCC(=O)c1cccn(CC(=O)N[C@@H](C)C(=O)O)c1=O
InChIInChI=1S/C12H14N2O5/c1-7(12(18)19)13-10(16)6-14-5-3-4-9(8(2)15)11(14)17/h3-5,7H,6H2,1-2H3,(H,13,16)(H,18,19)/t7-/m0/s1
InChIKeyHEDZWPMCCROMIC-ZETCQYMHSA-N
XLogP-0.36
TPSA105.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid (CID 141307794) is (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid is CC(=O)c1cccn(CC(=O)N[C@@H](C)C(=O)O)c1=O.
What is the InChIKey of (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?
The InChIKey is HEDZWPMCCROMIC-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-7(12(18)19)13-10(16)6-14-5-3-4-9(8(2)15)11(14)17/h3-5,7H,6H2,1-2H3,(H,13,16)(H,18,19)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid?
(2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid has a molecular weight of 266.25 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3-acetyl-2-oxo-1-pyridinyl)acetyl]amino]propanoic acid is sourced from PubChem (CID 141307794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).