ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate

C12H17NO3S — CID 61342753

IUPACethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)CCc1cccs1
InChIInChI=1S/C12H17NO3S/c1-3-16-12(15)9(2)13-11(14)7-6-10-5-4-8-17-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyRMICDFPAYVKYOT-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.75
Rot. Bonds6

About ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate

ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate (PubChem CID 61342753) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate
PubChem CID61342753
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Nameethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate
SMILESCCOC(=O)C(C)NC(=O)CCc1cccs1
InChIInChI=1S/C12H17NO3S/c1-3-16-12(15)9(2)13-11(14)7-6-10-5-4-8-17-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,14)
InChIKeyRMICDFPAYVKYOT-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-thiophen-2-ylpropanoylamino)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-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-2-ylpropanamide
CID 120509228
(2S)-4-methyl-2-(3-thiophen-2-ylpropanoylamino)pentanoic acid
CID 61155171
ethyl 2-(3-aminopropanoylamino)propanoate
CID 61499067
ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate
CID 13111463
ethyl 2-(3-pyridin-3-ylpropanoylamino)propanoate
CID 61344596
N'-methyl-3-thiophen-2-ylpropanehydrazide
CID 116846300
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-2-ylpropanamide
CID 120655245
N-(1-methoxypropan-2-yl)-4-thiophen-2-ylbutanamide
CID 78785345
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-2-thiophen-2-ylacetic acid
CID 115285363
N-[1-(3-bromophenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 75871633
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55484501

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate?
The IUPAC name of ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate (CID 61342753) is ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate.
What is the SMILES notation for ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate?
The canonical SMILES for ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate is CCOC(=O)C(C)NC(=O)CCc1cccs1.
What is the InChIKey of ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate?
The InChIKey is RMICDFPAYVKYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-3-16-12(15)9(2)13-11(14)7-6-10-5-4-8-17-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate?
ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate has a molecular weight of 255.34 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate is sourced from PubChem (CID 61342753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).