2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid

C14H22N2O3S — CID 79803856

IUPAC2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
SMILESCCC(CC)(NCC(=O)N(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-4-14(5-2,13(18)19)15-9-12(17)16(3)10-11-7-6-8-20-11/h6-8,15H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyIXMYJABVOKDXGD-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.94
Rot. Bonds8

About 2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid

2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid (PubChem CID 79803856) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
PubChem CID79803856
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
SMILESCCC(CC)(NCC(=O)N(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C14H22N2O3S/c1-4-14(5-2,13(18)19)15-9-12(17)16(3)10-11-7-6-8-20-11/h6-8,15H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyIXMYJABVOKDXGD-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]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

2-ethyl-2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]butanoic acid
CID 79804517
4-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid
CID 43473843
N-methyl-3-thiophen-2-yl-N-(thiophen-2-ylmethyl)propanamide
CID 110733634
2-ethyl-2-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 114991334
3-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)propanamide
CID 115139118
N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 38562903
3-ethyl-1-methyl-1-(thiophen-2-ylmethyl)urea
CID 53016484
2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid
CID 63944724
2-methyl-2-[[2-oxo-2-[prop-2-enyl(thiophen-2-ylmethyl)amino]ethyl]amino]butanoic acid
CID 79791958
4-fluoro-N-[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]benzamide
CID 18114254
4-hydroxy-N-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 79201475
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)acetamide
CID 78762396

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid (CID 79803856) is 2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid is CCC(CC)(NCC(=O)N(C)Cc1cccs1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid?
The InChIKey is IXMYJABVOKDXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-14(5-2,13(18)19)15-9-12(17)16(3)10-11-7-6-8-20-11/h6-8,15H,4-5,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid?
2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid has a molecular weight of 298.41 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]amino]butanoic acid is sourced from PubChem (CID 79803856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).