2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid

C16H19NO5 — CID 119189822

IUPAC2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc2cc(C)c(C)cc2o1
InChIInChI=1S/C16H19NO5/c1-10-6-12-8-14(22-13(12)7-11(10)2)16(20)17(4-5-21-3)9-15(18)19/h6-8H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyATXLYGCSQPXMRE-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.22
Rot. Bonds6

About 2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189822) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID119189822
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc2cc(C)c(C)cc2o1
InChIInChI=1S/C16H19NO5/c1-10-6-12-8-14(22-13(12)7-11(10)2)16(20)17(4-5-21-3)9-15(18)19/h6-8H,4-5,9H2,1-3H3,(H,18,19)
InChIKeyATXLYGCSQPXMRE-UHFFFAOYSA-N
XLogP2.22
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxyethyl-(5-methylfuro[3,2-b]pyridine-2-carbonyl)amino]acetic acid
CID 119189294
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 115772526
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
2-[2-methoxyethyl-(3-methyl-5-nitrobenzoyl)amino]acetic acid
CID 115736036
methyl 5,6-dimethyl-1-benzofuran-2-carboxylate
CID 23271204
2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969489
5-amino-N-(2-cyanoethyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63284227
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63287232
2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 119189517
2-[(4-bromo-2,5-dimethylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 120516157
2-[2-methoxyethyl-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 119189824
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 119189822) is 2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cc2cc(C)c(C)cc2o1.
What is the InChIKey of 2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is ATXLYGCSQPXMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO5/c1-10-6-12-8-14(22-13(12)7-11(10)2)16(20)17(4-5-21-3)9-15(18)19/h6-8H,4-5,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 305.33 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).