methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate

C14H20N2O4S — CID 61009497

IUPACmethyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C14H20N2O4S/c1-4-16(8-7-12(17)20-3)14(19)10(2)15-13(18)11-6-5-9-21-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyVDYKMXQXKFOUCB-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.28
Rot. Bonds7

About methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate

methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate (PubChem CID 61009497) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate
PubChem CID61009497
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Namemethyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)C(C)NC(=O)c1cccs1
InChIInChI=1S/C14H20N2O4S/c1-4-16(8-7-12(17)20-3)14(19)10(2)15-13(18)11-6-5-9-21-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyVDYKMXQXKFOUCB-UHFFFAOYSA-N
XLogP1.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]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

methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 61039914
methyl 2-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]acetate
CID 61383225
N-[(2R)-1-amino-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 130174839
(2R)-5-methoxy-5-oxo-2-(thiophene-2-carbonylamino)pentanoic acid
CID 107820841
diethyl 2-(thiophene-2-carbonylamino)propanedioate
CID 43409057
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
[(2S)-4-methylpentan-2-yl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 95572910
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
nonyl 2-(thiophene-2-carbonylamino)propanoate
CID 6422194
N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 99865873

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate (CID 61009497) is methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate is CCN(CCC(=O)OC)C(=O)C(C)NC(=O)c1cccs1.
What is the InChIKey of methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate?
The InChIKey is VDYKMXQXKFOUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-4-16(8-7-12(17)20-3)14(19)10(2)15-13(18)11-6-5-9-21-11/h5-6,9-10H,4,7-8H2,1-3H3,(H,15,18).
What are the key properties of methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate?
methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate has a molecular weight of 312.39 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-(thiophene-2-carbonylamino)propanoyl]amino]propanoate is sourced from PubChem (CID 61009497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).