methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate

C13H21NO3S — CID 78959784

IUPACmethyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)CCc1ccsc1
InChIInChI=1S/C13H21NO3S/c1-16-9-8-14(7-4-13(15)17-2)6-3-12-5-10-18-11-12/h5,10-11H,3-4,6-9H2,1-2H3
InChIKeyUDVPCRIAHIOQHH-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.80
Rot. Bonds9

About methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate

methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate (PubChem CID 78959784) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate
PubChem CID78959784
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Namemethyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)CCc1ccsc1
InChIInChI=1S/C13H21NO3S/c1-16-9-8-14(7-4-13(15)17-2)6-3-12-5-10-18-11-12/h5,10-11H,3-4,6-9H2,1-2H3
InChIKeyUDVPCRIAHIOQHH-UHFFFAOYSA-N
XLogP1.80
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-ethylphenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78983733
N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62554315
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate
CID 78958910
methyl 4-(2-thiophen-3-ylethylamino)butanoate
CID 61473778
methyl 3-[ethoxycarbonyl(thiophen-3-ylmethyl)amino]propanoate
CID 58293749
1-[2-methoxyethyl(thiophen-3-ylmethyl)amino]-2-methylpropan-2-ol
CID 24714891
methyl 3-[(3-chlorophenyl)methyl-(2-methoxyethyl)amino]propanoate
CID 78984035
N-(2-methoxyethyl)-3-(2-thiophen-3-ylethylamino)propanamide
CID 113409977
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
N-(2-methoxyethyl)-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 74240165
N-[(2R)-1-methoxypropan-2-yl]-3-thiophen-3-ylpropanamide
CID 51725722

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate?
The IUPAC name of methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate (CID 78959784) is methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate is COCCN(CCC(=O)OC)CCc1ccsc1.
What is the InChIKey of methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate?
The InChIKey is UDVPCRIAHIOQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-16-9-8-14(7-4-13(15)17-2)6-3-12-5-10-18-11-12/h5,10-11H,3-4,6-9H2,1-2H3.
What are the key properties of methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate?
methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate has a molecular weight of 271.38 g/mol, XLogP of 1.80, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-methoxyethyl(2-thiophen-3-ylethyl)amino]propanoate is sourced from PubChem (CID 78959784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).