2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid

C14H23NO3S — CID 79494045

IUPAC2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid
SMILESCCOC(CCN(C)C(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C14H23NO3S/c1-4-18-13(14(16)17)7-8-15(3)11(2)10-12-6-5-9-19-12/h5-6,9,11,13H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyJTCKCAHKYITGOT-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.49
Rot. Bonds9

About 2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid

2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid (PubChem CID 79494045) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid
PubChem CID79494045
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid
SMILESCCOC(CCN(C)C(C)Cc1cccs1)C(=O)O
InChIInChI=1S/C14H23NO3S/c1-4-18-13(14(16)17)7-8-15(3)11(2)10-12-6-5-9-19-12/h5-6,9,11,13H,4,7-8,10H2,1-3H3,(H,16,17)
InChIKeyJTCKCAHKYITGOT-UHFFFAOYSA-N
XLogP2.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4-dimethyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pentan-3-one
CID 79486739
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
CID 79486782
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
1-(2-chlorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-one
CID 79489640
1-(2-fluorophenyl)-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-1-ol
CID 79490115
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073
3-N-ethyl-1-N,4,4-trimethyl-1-N-(1-thiophen-2-ylpropan-2-yl)pentane-1,3-diamine
CID 79485910
2-methyl-1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79486869
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 63773850
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid?
The IUPAC name of 2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid (CID 79494045) is 2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid?
The canonical SMILES for 2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid is CCOC(CCN(C)C(C)Cc1cccs1)C(=O)O.
What is the InChIKey of 2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid?
The InChIKey is JTCKCAHKYITGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-18-13(14(16)17)7-8-15(3)11(2)10-12-6-5-9-19-12/h5-6,9,11,13H,4,7-8,10H2,1-3H3,(H,16,17).
What are the key properties of 2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid?
2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid has a molecular weight of 285.41 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid is sourced from PubChem (CID 79494045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).