3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid

C12H15N3O5 — CID 23111970

IUPAC3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid
SMILESCC(=O)C(CC(=O)O)NC(=O)Cn1cccc(N)c1=O
InChIInChI=1S/C12H15N3O5/c1-7(16)9(5-11(18)19)14-10(17)6-15-4-2-3-8(13)12(15)20/h2-4,9H,5-6,13H2,1H3,(H,14,17)(H,18,19)
InChIKeyMOMLWOPTOLCCJC-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.02
Rot. Bonds6

About 3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid

3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid (PubChem CID 23111970) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid.

Molecular Properties

Compound Name3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid
PubChem CID23111970
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid
SMILESCC(=O)C(CC(=O)O)NC(=O)Cn1cccc(N)c1=O
InChIInChI=1S/C12H15N3O5/c1-7(16)9(5-11(18)19)14-10(17)6-15-4-2-3-8(13)12(15)20/h2-4,9H,5-6,13H2,1H3,(H,14,17)(H,18,19)
InChIKeyMOMLWOPTOLCCJC-UHFFFAOYSA-N
XLogP-1.02
TPSA131.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid?
The IUPAC name of 3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid (CID 23111970) is 3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid.
What is the SMILES notation for 3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid?
The canonical SMILES for 3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid is CC(=O)C(CC(=O)O)NC(=O)Cn1cccc(N)c1=O.
What is the InChIKey of 3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid?
The InChIKey is MOMLWOPTOLCCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-7(16)9(5-11(18)19)14-10(17)6-15-4-2-3-8(13)12(15)20/h2-4,9H,5-6,13H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid?
3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid has a molecular weight of 281.27 g/mol, XLogP of -1.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid is sourced from PubChem (CID 23111970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).