2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid

C13H18N2O5 — CID 120515829

IUPAC2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCOCCOc1cc(C(=O)NC(C)(C)C(=O)O)ccn1
InChIInChI=1S/C13H18N2O5/c1-13(2,12(17)18)15-11(16)9-4-5-14-10(8-9)20-7-6-19-3/h4-5,8H,6-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyMFJVKBVBSIYTKE-UHFFFAOYSA-N
MW282.30 g/mol
LogP0.70
Rot. Bonds7

About 2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid

2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 120515829) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
PubChem CID120515829
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC Name2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCOCCOc1cc(C(=O)NC(C)(C)C(=O)O)ccn1
InChIInChI=1S/C13H18N2O5/c1-13(2,12(17)18)15-11(16)9-4-5-14-10(8-9)20-7-6-19-3/h4-5,8H,6-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyMFJVKBVBSIYTKE-UHFFFAOYSA-N
XLogP0.70
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 50.70
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

3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120531677
2-[[4-(2-methoxyethoxy)benzoyl]amino]-2-methylpropanoic acid
CID 75383535
2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide
CID 119100115
3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120531851
N-methoxy-2-(2-methoxyethoxy)-N-methylpyridine-4-carboxamide
CID 119100133
2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide
CID 143484449
4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120532346
2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
CID 121017346
2-methyl-2-(quinoline-6-carbonylamino)propanoic acid
CID 62849360
N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 119100107
methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate
CID 121017369
2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid
CID 91151516

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid (CID 120515829) is 2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid is COCCOc1cc(C(=O)NC(C)(C)C(=O)O)ccn1.
What is the InChIKey of 2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is MFJVKBVBSIYTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-13(2,12(17)18)15-11(16)9-4-5-14-10(8-9)20-7-6-19-3/h4-5,8H,6-7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid?
2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 282.30 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 120515829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).