3-(3-amino-4-oxo-1-pyridinyl)propanoic acid

C8H10N2O3 — CID 82990263

IUPAC3-(3-amino-4-oxo-1-pyridinyl)propanoic acid
SMILESNc1cn(CCC(=O)O)ccc1=O
InChIInChI=1S/C8H10N2O3/c9-6-5-10(3-1-7(6)11)4-2-8(12)13/h1,3,5H,2,4,9H2,(H,12,13)
InChIKeyHUWKAZMPCZLQBG-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.09
Rot. Bonds3

About 3-(3-amino-4-oxo-1-pyridinyl)propanoic acid

3-(3-amino-4-oxo-1-pyridinyl)propanoic acid (PubChem CID 82990263) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(3-amino-4-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-(3-amino-4-oxo-1-pyridinyl)propanoic acid
PubChem CID82990263
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-(3-amino-4-oxo-1-pyridinyl)propanoic acid
SMILESNc1cn(CCC(=O)O)ccc1=O
InChIInChI=1S/C8H10N2O3/c9-6-5-10(3-1-7(6)11)4-2-8(12)13/h1,3,5H,2,4,9H2,(H,12,13)
InChIKeyHUWKAZMPCZLQBG-UHFFFAOYSA-N
XLogP-0.09
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 3-(3-amino-4-oxo-1-pyridinyl)propanoic acid (CID 82990263) is 3-(3-amino-4-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 3-(3-amino-4-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 3-(3-amino-4-oxo-1-pyridinyl)propanoic acid is Nc1cn(CCC(=O)O)ccc1=O.
What is the InChIKey of 3-(3-amino-4-oxo-1-pyridinyl)propanoic acid?
The InChIKey is HUWKAZMPCZLQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-6-5-10(3-1-7(6)11)4-2-8(12)13/h1,3,5H,2,4,9H2,(H,12,13).
What are the key properties of 3-(3-amino-4-oxo-1-pyridinyl)propanoic acid?
3-(3-amino-4-oxo-1-pyridinyl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 82990263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).