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

C9H10N2O5 — CID 82056059

IUPAC2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid
SMILESNC(=O)COc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C9H10N2O5/c10-7(12)5-16-6-2-1-3-11(9(6)15)4-8(13)14/h1-3H,4-5H2,(H2,10,12)(H,13,14)
InChIKeyIKCIZZAWJRCZHX-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.20
Rot. Bonds5

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

2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 82056059) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid
PubChem CID82056059
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid
SMILESNC(=O)COc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C9H10N2O5/c10-7(12)5-16-6-2-1-3-11(9(6)15)4-8(13)14/h1-3H,4-5H2,(H2,10,12)(H,13,14)
InChIKeyIKCIZZAWJRCZHX-UHFFFAOYSA-N
XLogP-1.20
TPSA111.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid (CID 82056059) is 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid is NC(=O)COc1cccn(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is IKCIZZAWJRCZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c10-7(12)5-16-6-2-1-3-11(9(6)15)4-8(13)14/h1-3H,4-5H2,(H2,10,12)(H,13,14).
What are the key properties of 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid?
2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 226.19 g/mol, XLogP of -1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-amino-2-oxoethoxy)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 82056059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).