2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid

C12H19NO2S — CID 84752460

IUPAC2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid
SMILESCCN(CC)C(C)(Cc1ccsc1)C(=O)O
InChIInChI=1S/C12H19NO2S/c1-4-13(5-2)12(3,11(14)15)8-10-6-7-16-9-10/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyUBHWZGXGMCXSMT-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.48
Rot. Bonds6

About 2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid

2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid (PubChem CID 84752460) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid.

Molecular Properties

Compound Name2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid
PubChem CID84752460
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid
SMILESCCN(CC)C(C)(Cc1ccsc1)C(=O)O
InChIInChI=1S/C12H19NO2S/c1-4-13(5-2)12(3,11(14)15)8-10-6-7-16-9-10/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyUBHWZGXGMCXSMT-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-2-(thiophen-3-ylmethyl)butanoic acid
CID 83148678
2-(diethylamino)-3-(4-ethoxyphenyl)-2-methylpropanoic acid
CID 84752439
N,N-diethyl-2-thiophen-3-ylacetamide
CID 60635955
ethyl 2,2-dimethyl-3-thiophen-3-ylpropanoate
CID 176838352
4-(diethylamino)-4-ethyl-1-thiophen-3-ylhexan-3-one
CID 79061299
2-methyl-2-(4-methylpiperazin-1-yl)-3-thiophen-3-ylpropanoic acid
CID 84752426
2-ethyl-2-[methyl(thiophen-3-ylmethyl)amino]butanoic acid
CID 114991336
2-(diethylamino)-2-methylbutanoic acid
CID 43803567
2-N,3-N,3-N-triethyl-3-methyl-1-thiophen-3-ylpentane-2,3-diamine
CID 79069073
2-[ethyl(thiophen-3-ylmethyl)amino]acetic acid
CID 55028747
methyl (2R)-2-amino-2-methyl-3-thiophen-3-ylpropanoate
CID 164676208
(2S)-2-[ethyl(methyl)amino]-2-methyl-3-phenylpropanoic acid
CID 91206478

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid?
The IUPAC name of 2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid (CID 84752460) is 2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid.
What is the SMILES notation for 2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid?
The canonical SMILES for 2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid is CCN(CC)C(C)(Cc1ccsc1)C(=O)O.
What is the InChIKey of 2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid?
The InChIKey is UBHWZGXGMCXSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-13(5-2)12(3,11(14)15)8-10-6-7-16-9-10/h6-7,9H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid?
2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid has a molecular weight of 241.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-methyl-3-thiophen-3-ylpropanoic acid is sourced from PubChem (CID 84752460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).