[2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate

C15H25NO4S — CID 42682200

IUPAC[2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate
SMILESCCCC(=O)OCC(O)CN(CCOC)Cc1cccs1
InChIInChI=1S/C15H25NO4S/c1-3-5-15(18)20-12-13(17)10-16(7-8-19-2)11-14-6-4-9-21-14/h4,6,9,13,17H,3,5,7-8,10-12H2,1-2H3
InChIKeyYUCJEPWBTGCOPH-UHFFFAOYSA-N
MW315.44 g/mol
LogP1.90
Rot. Bonds11

About [2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate

[2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate (PubChem CID 42682200) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is [2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate.

Molecular Properties

Compound Name[2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate
PubChem CID42682200
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC Name[2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate
SMILESCCCC(=O)OCC(O)CN(CCOC)Cc1cccs1
InChIInChI=1S/C15H25NO4S/c1-3-5-15(18)20-12-13(17)10-16(7-8-19-2)11-14-6-4-9-21-14/h4,6,9,13,17H,3,5,7-8,10-12H2,1-2H3
InChIKeyYUCJEPWBTGCOPH-UHFFFAOYSA-N
XLogP1.90
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate?
The IUPAC name of [2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate (CID 42682200) is [2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate.
What is the SMILES notation for [2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate?
The canonical SMILES for [2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate is CCCC(=O)OCC(O)CN(CCOC)Cc1cccs1.
What is the InChIKey of [2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate?
The InChIKey is YUCJEPWBTGCOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-3-5-15(18)20-12-13(17)10-16(7-8-19-2)11-14-6-4-9-21-14/h4,6,9,13,17H,3,5,7-8,10-12H2,1-2H3.
What are the key properties of [2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate?
[2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate has a molecular weight of 315.44 g/mol, XLogP of 1.90, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[2-methoxyethyl(thiophen-2-ylmethyl)amino]propyl] butanoate is sourced from PubChem (CID 42682200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).