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

C10H12N2O5 — CID 82056141

IUPAC3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid
SMILESNC(=O)COc1cccn(CCC(=O)O)c1=O
InChIInChI=1S/C10H12N2O5/c11-8(13)6-17-7-2-1-4-12(10(7)16)5-3-9(14)15/h1-2,4H,3,5-6H2,(H2,11,13)(H,14,15)
InChIKeyBOKYOXZUAGKYIE-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.81
Rot. Bonds6

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

3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid (PubChem CID 82056141) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid
PubChem CID82056141
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid
SMILESNC(=O)COc1cccn(CCC(=O)O)c1=O
InChIInChI=1S/C10H12N2O5/c11-8(13)6-17-7-2-1-4-12(10(7)16)5-3-9(14)15/h1-2,4H,3,5-6H2,(H2,11,13)(H,14,15)
InChIKeyBOKYOXZUAGKYIE-UHFFFAOYSA-N
XLogP-0.81
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of 3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid (CID 82056141) is 3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for 3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid is NC(=O)COc1cccn(CCC(=O)O)c1=O.
What is the InChIKey of 3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid?
The InChIKey is BOKYOXZUAGKYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c11-8(13)6-17-7-2-1-4-12(10(7)16)5-3-9(14)15/h1-2,4H,3,5-6H2,(H2,11,13)(H,14,15).
What are the key properties of 3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid?
3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid has a molecular weight of 240.22 g/mol, XLogP of -0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 82056141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).