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

C13H18N2O5 — CID 82056065

IUPAC2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
SMILESCCCCNC(=O)COc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C13H18N2O5/c1-2-3-6-14-11(16)9-20-10-5-4-7-15(13(10)19)8-12(17)18/h4-5,7H,2-3,6,8-9H2,1H3,(H,14,16)(H,17,18)
InChIKeyYZYZSONCGKBJBD-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.23
Rot. Bonds8

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

2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 82056065) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
PubChem CID82056065
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid
SMILESCCCCNC(=O)COc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C13H18N2O5/c1-2-3-6-14-11(16)9-20-10-5-4-7-15(13(10)19)8-12(17)18/h4-5,7H,2-3,6,8-9H2,1H3,(H,14,16)(H,17,18)
InChIKeyYZYZSONCGKBJBD-UHFFFAOYSA-N
XLogP0.23
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid (CID 82056065) is 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid is CCCCNC(=O)COc1cccn(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is YZYZSONCGKBJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-2-3-6-14-11(16)9-20-10-5-4-7-15(13(10)19)8-12(17)18/h4-5,7H,2-3,6,8-9H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid?
2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 282.30 g/mol, XLogP of 0.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 82056065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).