2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid

C11H17NO2S — CID 60833114

IUPAC2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1cccs1
InChIInChI=1S/C11H17NO2S/c1-3-9(2)12(8-11(13)14)7-10-5-4-6-15-10/h4-6,9H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyLYNAJGNYHMWGHM-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.43
Rot. Bonds6

About 2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid

2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid (PubChem CID 60833114) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
PubChem CID60833114
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)Cc1cccs1
InChIInChI=1S/C11H17NO2S/c1-3-9(2)12(8-11(13)14)7-10-5-4-6-15-10/h4-6,9H,3,7-8H2,1-2H3,(H,13,14)
InChIKeyLYNAJGNYHMWGHM-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid
CID 61455513
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
CID 107425908
3-[propan-2-yl(thiophen-2-ylmethyl)amino]butanoic acid
CID 61451665
2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid
CID 60830325
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
2-[butan-2-yl-[(2-hydroxyphenyl)methyl]amino]acetic acid
CID 65057446
2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817
N'-[(2R)-butan-2-yl]-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 92864149
2-[butan-2-yl-[(5-methylfuran-2-yl)methyl]amino]acetic acid
CID 60833890
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
3-[[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]methyl]pentanoic acid
CID 81067110

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid (CID 60833114) is 2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid is CCC(C)N(CC(=O)O)Cc1cccs1.
What is the InChIKey of 2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid?
The InChIKey is LYNAJGNYHMWGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-9(2)12(8-11(13)14)7-10-5-4-6-15-10/h4-6,9H,3,7-8H2,1-2H3,(H,13,14).
What are the key properties of 2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid?
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid has a molecular weight of 227.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 60833114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).