2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid

C14H19NO4S — CID 75429114

IUPAC2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)CC2CCCO2)c(C)s1
InChIInChI=1S/C14H19NO4S/c1-9-6-12(10(2)20-9)14(18)15(8-13(16)17)7-11-4-3-5-19-11/h6,11H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyIGKLZHGNCQQIHG-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.07
Rot. Bonds5

About 2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid

2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid (PubChem CID 75429114) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid
PubChem CID75429114
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid
SMILESCc1cc(C(=O)N(CC(=O)O)CC2CCCO2)c(C)s1
InChIInChI=1S/C14H19NO4S/c1-9-6-12(10(2)20-9)14(18)15(8-13(16)17)7-11-4-3-5-19-11/h6,11H,3-5,7-8H2,1-2H3,(H,16,17)
InChIKeyIGKLZHGNCQQIHG-UHFFFAOYSA-N
XLogP2.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)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

3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 4104784
2-[(2,5-dimethylthiophene-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990159
2-[[ethyl(oxolan-2-ylmethyl)carbamoyl]-methylamino]acetic acid
CID 61439375
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 4213089
2-[methyl-[methyl(oxolan-2-ylmethyl)carbamoyl]amino]acetic acid
CID 61435873
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
CID 97250924
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2,5-dimethylthiophene-3-carboxylate
CID 8878190
2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide
CID 106853558
3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697893
3-[(3,5-dimethoxy-4-methylbenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154089
N-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3,5-difluoro-N-(oxolan-2-ylmethyl)benzamide
CID 3278116

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid (CID 75429114) is 2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid is Cc1cc(C(=O)N(CC(=O)O)CC2CCCO2)c(C)s1.
What is the InChIKey of 2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid?
The InChIKey is IGKLZHGNCQQIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-9-6-12(10(2)20-9)14(18)15(8-13(16)17)7-11-4-3-5-19-11/h6,11H,3-5,7-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid?
2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid has a molecular weight of 297.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylthiophene-3-carbonyl)-(oxolan-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 75429114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).