2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid

C13H19NO3S — CID 75496204

IUPAC2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1sccc1C)C(=O)O
InChIInChI=1S/C13H19NO3S/c1-4-13(5-2,12(16)17)8-14-11(15)10-9(3)6-7-18-10/h6-7H,4-5,8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyVVRONZQBYAGRES-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.68
Rot. Bonds6

About 2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid

2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid (PubChem CID 75496204) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid
PubChem CID75496204
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)c1sccc1C)C(=O)O
InChIInChI=1S/C13H19NO3S/c1-4-13(5-2,12(16)17)8-14-11(15)10-9(3)6-7-18-10/h6-7H,4-5,8H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyVVRONZQBYAGRES-UHFFFAOYSA-N
XLogP2.68
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic 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

N-(aminomethyl)-3-methylthiophene-2-carboxamide
CID 169257485
2-ethyl-2-[(thieno[3,2-b]thiophene-5-carbonylamino)methyl]butanoic acid
CID 115429647
tert-butyl N-[2-methyl-1-[(3-methylthiophene-2-carbonyl)amino]propan-2-yl]carbamate
CID 71986091
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
N-[2-(ethylamino)ethyl]-3-methylthiophene-2-carboxamide;hydrochloride
CID 119505169
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3-methylthiophene-2-carboxamide
CID 111452322
N-[3-(ethylamino)propyl]-3-methylthiophene-2-carboxamide
CID 43601705
3-methyl-N-phenacylthiophene-2-carboxamide
CID 64991702
2-ethyl-2-[[(3-hydroxy-2-methylbenzoyl)amino]methyl]butanoic acid
CID 82826947
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide
CID 107845769
3-methyl-N-(oxiran-2-ylmethyl)thiophene-2-carboxamide
CID 102548440

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid (CID 75496204) is 2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid is CCC(CC)(CNC(=O)c1sccc1C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid?
The InChIKey is VVRONZQBYAGRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-4-13(5-2,12(16)17)8-14-11(15)10-9(3)6-7-18-10/h6-7H,4-5,8H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid?
2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid has a molecular weight of 269.37 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[(3-methylthiophene-2-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 75496204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).