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

C12H17NO4S — CID 54969489

IUPAC2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(C)c(C)s1
InChIInChI=1S/C12H17NO4S/c1-8-6-10(18-9(8)2)12(16)13(4-5-17-3)7-11(14)15/h6H,4-5,7H2,1-3H3,(H,14,15)
InChIKeySEULNYCWXIOYKA-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.54
Rot. Bonds6

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

2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 54969489) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
PubChem CID54969489
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)c1cc(C)c(C)s1
InChIInChI=1S/C12H17NO4S/c1-8-6-10(18-9(8)2)12(16)13(4-5-17-3)7-11(14)15/h6H,4-5,7H2,1-3H3,(H,14,15)
InChIKeySEULNYCWXIOYKA-UHFFFAOYSA-N
XLogP1.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,5-dibromothiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 54969488
2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733581
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 120516208
2-[2-methoxyethyl-(5-nitro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 119189388
2-[2-methoxyethyl-(4-methylbenzoyl)amino]acetic acid
CID 54969089
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
4-amino-N-benzyl-N-(2-methoxyethyl)-5-methylthiophene-2-carboxamide
CID 61114080
2-(N-(4,5-dimethylthiophene-2-carbonyl)anilino)acetic acid
CID 60831160
5-[ethyl(2-methoxyethyl)carbamoyl]-2-methylthiophene-3-sulfonyl chloride
CID 112676744
2-[(4-acetylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119188945
2-[(5,6-dimethyl-1-benzofuran-2-carbonyl)-(2-methoxyethyl)amino]acetic acid
CID 119189822

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid (CID 54969489) is 2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)c1cc(C)c(C)s1.
What is the InChIKey of 2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is SEULNYCWXIOYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-8-6-10(18-9(8)2)12(16)13(4-5-17-3)7-11(14)15/h6H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid?
2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 271.34 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylthiophene-2-carbonyl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 54969489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).