2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid

C10H11Br2NO4S — CID 54969488

IUPAC2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2NO4S/c1-17-3-2-13(5-8(14)15)10(16)7-4-6(11)9(12)18-7/h4H,2-3,5H2,1H3,(H,14,15)
InChIKeySXOSMVBYPTWINE-UHFFFAOYSA-N
MW401.08 g/mol
LogP2.45
Rot. Bonds6

About 2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid

2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 54969488) has the molecular formula C10H11Br2NO4S and a molecular weight of 401.08 g/mol. Its IUPAC name is 2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID54969488
Molecular FormulaC10H11Br2NO4S
Molecular Weight401.08 g/mol
Exact Mass398.88
IUPAC Name2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H11Br2NO4S/c1-17-3-2-13(5-8(14)15)10(16)7-4-6(11)9(12)18-7/h4H,2-3,5H2,1H3,(H,14,15)
InChIKeySXOSMVBYPTWINE-UHFFFAOYSA-N
XLogP2.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.08
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969489
2-[(4,5-dibromothiophen-2-yl)methyl-(2-methoxyethyl)amino]acetic acid
CID 102845098
2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733581
4,5-dibromo-N-(2-methoxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 113222390
2-[(4-bromo-2,5-dimethylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 120516157
4,5-dibromo-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 112729543
4,5-dibromo-N-[2-(methylamino)-2-oxoethyl]-N-propylthiophene-2-carboxamide
CID 78968180
2-[2-methoxyethyl-(5-nitro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 119189388
2-[2-methoxyethyl-(4-methyl-1H-pyrrole-3-carbonyl)amino]acetic acid
CID 119189517
2-[2-methoxyethyl(1,3-thiazole-4-carbonyl)amino]acetic acid
CID 63023024
2-[(3-bromo-2-fluorobenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 107949094
2-[(3-bromopyridine-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 120516189

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 54969488) is 2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is SXOSMVBYPTWINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Br2NO4S/c1-17-3-2-13(5-8(14)15)10(16)7-4-6(11)9(12)18-7/h4H,2-3,5H2,1H3,(H,14,15).
What are the key properties of 2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 401.08 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 54969488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).