ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate

C13H19NO3S — CID 61343312

IUPACethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)CCCc1cccs1
InChIInChI=1S/C13H19NO3S/c1-3-17-13(16)10(2)14-12(15)8-4-6-11-7-5-9-18-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,15)
InChIKeyMBKHEPCAGOKBJF-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.14
Rot. Bonds7

About ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate

ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate (PubChem CID 61343312) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
PubChem CID61343312
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Nameethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)CCCc1cccs1
InChIInChI=1S/C13H19NO3S/c1-3-17-13(16)10(2)14-12(15)8-4-6-11-7-5-9-18-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,15)
InChIKeyMBKHEPCAGOKBJF-UHFFFAOYSA-N
XLogP2.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate 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

ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate
CID 61342753
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
N-(4-bromobutan-2-yl)-4-thiophen-2-ylbutanamide
CID 83179701
N-(2-methylpropoxy)-4-thiophen-2-ylbutanamide
CID 115409895
N-(3-aminobutyl)-4-thiophen-2-ylbutanamide
CID 63253791
N-[1-(2-aminophenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 43297812
N-pent-1-yn-3-yl-4-thiophen-2-ylbutanamide
CID 103579001
N-(1-chloro-4-methylpentan-3-yl)-4-thiophen-2-ylbutanamide
CID 106354910
N-(1-bromo-4-methylpentan-3-yl)-4-thiophen-2-ylbutanamide
CID 106355352
3-(6-thiophen-2-ylhexanoylamino)butanoic acid
CID 119221489
N-[(1S)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethyl]-4-thiophen-2-ylbutanamide
CID 96509347
N-[1-(2-methoxy-5-methylphenyl)ethyl]-4-thiophen-2-ylbutanamide
CID 51212418

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate?
The IUPAC name of ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate (CID 61343312) is ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate.
What is the SMILES notation for ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate?
The canonical SMILES for ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate is CCOC(=O)C(C)NC(=O)CCCc1cccs1.
What is the InChIKey of ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate?
The InChIKey is MBKHEPCAGOKBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-17-13(16)10(2)14-12(15)8-4-6-11-7-5-9-18-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H,14,15).
What are the key properties of ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate?
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate has a molecular weight of 269.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate is sourced from PubChem (CID 61343312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).