2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid

C10H15NO2S — CID 63773850

IUPAC2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)CCc1cccs1
InChIInChI=1S/C10H15NO2S/c1-8(10(12)13)11(2)6-5-9-4-3-7-14-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)
InChIKeyKXMSEPXASWJYEN-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.70
Rot. Bonds5

About 2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid

2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid (PubChem CID 63773850) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
PubChem CID63773850
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
SMILESCC(C(=O)O)N(C)CCc1cccs1
InChIInChI=1S/C10H15NO2S/c1-8(10(12)13)11(2)6-5-9-4-3-7-14-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,13)
InChIKeyKXMSEPXASWJYEN-UHFFFAOYSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487976
1-(5-chlorothiophen-2-yl)-2-[methyl(2-thiophen-2-ylethyl)amino]propan-1-one
CID 79485799
3-methoxy-2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid
CID 103224820
3-methyl-2-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 43527695
(2S)-3-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 79486957
3-[ethyl(2-thiophen-2-ylethyl)amino]-2-methylpropanoic acid
CID 63774209
2-[methyl(thiophen-2-ylmethyl)sulfamoyl]propanoic acid
CID 61454199
2-[[ethyl(thiophen-2-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 55097027
3-methyl-5-[methyl(2-thiophen-2-ylethyl)amino]-5-oxopentanoic acid
CID 79475565
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
2-[cyclopropyl(thiophen-2-ylmethyl)amino]propanoic acid
CID 61448732

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid (CID 63773850) is 2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid is CC(C(=O)O)N(C)CCc1cccs1.
What is the InChIKey of 2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid?
The InChIKey is KXMSEPXASWJYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8(10(12)13)11(2)6-5-9-4-3-7-14-9/h3-4,7-8H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid?
2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid has a molecular weight of 213.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-thiophen-2-ylethyl)amino]propanoic acid is sourced from PubChem (CID 63773850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).