2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid

C10H15NO2S — CID 65062970

IUPAC2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(C)c1ccsc1
InChIInChI=1S/C10H15NO2S/c1-3-11(6-10(12)13)8(2)9-4-5-14-7-9/h4-5,7-8H,3,6H2,1-2H3,(H,12,13)
InChIKeySMUYWADFKZEVRR-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.22
Rot. Bonds5

About 2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid

2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid (PubChem CID 65062970) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid
PubChem CID65062970
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(C)c1ccsc1
InChIInChI=1S/C10H15NO2S/c1-3-11(6-10(12)13)8(2)9-4-5-14-7-9/h4-5,7-8H,3,6H2,1-2H3,(H,12,13)
InChIKeySMUYWADFKZEVRR-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-thiophen-3-ylethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265960
2-[tert-butyl(1-thiophen-3-ylethyl)amino]acetic acid
CID 79268430
2-[ethyl(1-thiophen-3-ylethyl)amino]-2-methylpropanoic acid
CID 65061477
2-[ethyl-[1-(2-hydroxyphenyl)ethyl]amino]acetic acid
CID 65063433
2-[carboxymethyl-[1-(4-propan-2-ylphenyl)ethyl]amino]acetic acid
CID 65065744
2-[carboxymethyl-[1-(4-ethylphenyl)ethyl]amino]acetic acid
CID 65065586
2-[ethyl-[1-(1-methylpyrazol-4-yl)ethyl]amino]acetic acid
CID 65063078
2-methyl-1-thiophen-3-ylbutan-1-ol
CID 65099391
2-thiophen-3-ylpropanoic acid;hydrochloride
CID 67842901
3-[2-methyl-N-(1-thiophen-3-ylethyl)anilino]propanoic acid
CID 65059376
2-sulfanyl-3-thiophen-3-ylbutanoic acid
CID 174552094
3-[methyl(2-thiophen-3-ylpropanoyl)amino]propanoic acid
CID 115731293

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid (CID 65062970) is 2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid is CCN(CC(=O)O)C(C)c1ccsc1.
What is the InChIKey of 2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid?
The InChIKey is SMUYWADFKZEVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-11(6-10(12)13)8(2)9-4-5-14-7-9/h4-5,7-8H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid?
2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid has a molecular weight of 213.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-thiophen-3-ylethyl)amino]acetic acid is sourced from PubChem (CID 65062970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).