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

C14H20N2O6 — CID 120531677

IUPAC3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCOCCOc1cc(C(=O)NC(C)(COC)C(=O)O)ccn1
InChIInChI=1S/C14H20N2O6/c1-14(9-21-3,13(18)19)16-12(17)10-4-5-15-11(8-10)22-7-6-20-2/h4-5,8H,6-7,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyPAXVWZWSJJIIIN-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.33
Rot. Bonds9

About 3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid

3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 120531677) has the molecular formula C14H20N2O6 and a molecular weight of 312.32 g/mol. Its IUPAC name is 3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
PubChem CID120531677
Molecular FormulaC14H20N2O6
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCOCCOc1cc(C(=O)NC(C)(COC)C(=O)O)ccn1
InChIInChI=1S/C14H20N2O6/c1-14(9-21-3,13(18)19)16-12(17)10-4-5-15-11(8-10)22-7-6-20-2/h4-5,8H,6-7,9H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyPAXVWZWSJJIIIN-UHFFFAOYSA-N
XLogP0.33
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120531851
2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515829
2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide
CID 119100115
4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
CID 120532346
3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120531734
N-methoxy-2-(2-methoxyethoxy)-N-methylpyridine-4-carboxamide
CID 119100133
2-(2,2-dimethylpropoxy)pyridine-4-carboxylic acid
CID 91151516
2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide
CID 143484449
2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
CID 121017346
N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 119100107
3-methoxy-2-methyl-2-[(3-methyl-2-oxo-1H-benzimidazole-5-carbonyl)amino]propanoic acid
CID 120531806
methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate
CID 121017369

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid (CID 120531677) is 3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid is COCCOc1cc(C(=O)NC(C)(COC)C(=O)O)ccn1.
What is the InChIKey of 3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is PAXVWZWSJJIIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6/c1-14(9-21-3,13(18)19)16-12(17)10-4-5-15-11(8-10)22-7-6-20-2/h4-5,8H,6-7,9H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid?
3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 312.32 g/mol, XLogP of 0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 120531677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).