2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid

C11H18N2O2S — CID 107425908

IUPAC2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)Cc1cccs1
InChIInChI=1S/C11H18N2O2S/c1-12(2)5-6-13(9-11(14)15)8-10-4-3-7-16-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,14,15)
InChIKeyAGJCYDPCIUFDBE-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.20
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid (PubChem CID 107425908) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
PubChem CID107425908
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid
SMILESCN(C)CCN(CC(=O)O)Cc1cccs1
InChIInChI=1S/C11H18N2O2S/c1-12(2)5-6-13(9-11(14)15)8-10-4-3-7-16-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,14,15)
InChIKeyAGJCYDPCIUFDBE-UHFFFAOYSA-N
XLogP1.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[pentyl(thiophen-2-ylmethyl)amino]acetic acid
CID 175704817
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
N'-decyl-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 159085641
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
N'-[(3-ethylphenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 70827126
methyl 5-[[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]methyl]thiophene-3-carboxylate
CID 171442396
N'-[(2-fluorophenyl)methyl]-N,N-dimethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171669933
N-[2-(dimethylamino)ethyl]-N-ethyl-3-thiophen-2-ylpropanamide
CID 70852374
N-hydroxy-2-[propyl(thiophen-2-ylmethyl)amino]acetamide
CID 59105569
2-[bis(thiophen-2-ylmethyl)carbamoyl-butylamino]acetic acid
CID 118113458
ethyl 2-[propyl(thiophen-2-ylmethyl)amino]acetate
CID 62027701
4-[methyl(thiophen-2-ylmethyl)amino]butan-2-one
CID 60648007

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid (CID 107425908) is 2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid is CN(C)CCN(CC(=O)O)Cc1cccs1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid?
The InChIKey is AGJCYDPCIUFDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-12(2)5-6-13(9-11(14)15)8-10-4-3-7-16-10/h3-4,7H,5-6,8-9H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid has a molecular weight of 242.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(thiophen-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 107425908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).