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

C15H22N2O5 — CID 94745934

IUPAC2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid
SMILESCCCCNC(=O)COc1cccn(C(C)(C)C(=O)O)c1=O
InChIInChI=1S/C15H22N2O5/c1-4-5-8-16-12(18)10-22-11-7-6-9-17(13(11)19)15(2,3)14(20)21/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyFEQMVOPTDUJYHF-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.96
Rot. Bonds8

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

2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid (PubChem CID 94745934) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid
PubChem CID94745934
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Name2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid
SMILESCCCCNC(=O)COc1cccn(C(C)(C)C(=O)O)c1=O
InChIInChI=1S/C15H22N2O5/c1-4-5-8-16-12(18)10-22-11-7-6-9-17(13(11)19)15(2,3)14(20)21/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyFEQMVOPTDUJYHF-UHFFFAOYSA-N
XLogP0.96
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.96
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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Related Compounds

N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide
CID 82150874
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82056257
2-[[1-(1-aminopropan-2-yl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82143796
N-butyl-2-(2-tert-butylphenoxy)acetamide
CID 7676560
2-methyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)propanoic acid
CID 82143396
2-(2-bromophenoxy)-N-butylacetamide
CID 55029150
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
CID 82056289
N-butyl-2-(2-oxo-3-phenylmethoxy-1-pyridinyl)acetamide
CID 18941618
2-(2-methylphenoxy)-N-pentylacetamide
CID 110756249
2-(2-amino-3-methylphenoxy)-N-butylacetamide
CID 54956172
2-[3-(aminomethyl)imidazo[1,2-a]pyridin-8-yl]oxy-N-butylacetamide
CID 82056308
N-hexyl-2-(2-methoxyphenoxy)acetamide
CID 19169780

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid?
The IUPAC name of 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid (CID 94745934) is 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid is CCCCNC(=O)COc1cccn(C(C)(C)C(=O)O)c1=O.
What is the InChIKey of 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid?
The InChIKey is FEQMVOPTDUJYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-4-5-8-16-12(18)10-22-11-7-6-9-17(13(11)19)15(2,3)14(20)21/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,18)(H,20,21).
What are the key properties of 2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid?
2-[3-[2-(butylamino)-2-oxoethoxy]-2-oxo-1-pyridinyl]-2-methylpropanoic acid has a molecular weight of 310.35 g/mol, XLogP of 0.96, 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]-2-methylpropanoic acid is sourced from PubChem (CID 94745934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).