2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid

C13H21N3O2S — CID 82201749

IUPAC2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid
SMILESCN(CC(=O)O)C(CN1CCNCC1)c1cccs1
InChIInChI=1S/C13H21N3O2S/c1-15(10-13(17)18)11(12-3-2-8-19-12)9-16-6-4-14-5-7-16/h2-3,8,11,14H,4-7,9-10H2,1H3,(H,17,18)
InChIKeyZQGDQJLDUNGPTB-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.71
Rot. Bonds6

About 2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid

2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid (PubChem CID 82201749) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid
PubChem CID82201749
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid
SMILESCN(CC(=O)O)C(CN1CCNCC1)c1cccs1
InChIInChI=1S/C13H21N3O2S/c1-15(10-13(17)18)11(12-3-2-8-19-12)9-16-6-4-14-5-7-16/h2-3,8,11,14H,4-7,9-10H2,1H3,(H,17,18)
InChIKeyZQGDQJLDUNGPTB-UHFFFAOYSA-N
XLogP0.71
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]ethanol
CID 82201748
N-methyl-N-(2-piperazin-1-ylethyl)-1-thiophen-2-ylpropan-1-amine
CID 63265653
N,2-dimethyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115189078
2-[methyl-(2-methyl-1-thiophen-2-ylpropyl)amino]acetic acid
CID 65056388
1-[methyl(thiophen-2-ylmethyl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65448493
N-methyl-3-piperazin-1-yl-N-thiophen-2-ylpropanamide
CID 115171742
2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid
CID 115286833
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
N-ethyl-2-piperazin-1-yl-N-(thiophen-2-ylmethyl)acetamide
CID 60939844
methyl 2-piperazin-1-yl-2-thiophen-2-ylacetate
CID 61347523
1-(2-thiophen-2-ylsulfanylpropyl)piperazine
CID 117035710
2-[prop-2-enyl(1-thiophen-2-ylpropyl)amino]acetic acid
CID 79284969

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid (CID 82201749) is 2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid is CN(CC(=O)O)C(CN1CCNCC1)c1cccs1.
What is the InChIKey of 2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid?
The InChIKey is ZQGDQJLDUNGPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-15(10-13(17)18)11(12-3-2-8-19-12)9-16-6-4-14-5-7-16/h2-3,8,11,14H,4-7,9-10H2,1H3,(H,17,18).
What are the key properties of 2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid?
2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid has a molecular weight of 283.40 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(2-piperazin-1-yl-1-thiophen-2-ylethyl)amino]acetic acid is sourced from PubChem (CID 82201749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).