2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid

C14H16N2O2S — CID 63773832

IUPAC2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid
SMILESNc1ccccc1N(CCc1cccs1)CC(=O)O
InChIInChI=1S/C14H16N2O2S/c15-12-5-1-2-6-13(12)16(10-14(17)18)8-7-11-4-3-9-19-11/h1-6,9H,7-8,10,15H2,(H,17,18)
InChIKeyAMUFLDFHTMKSIG-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.46
Rot. Bonds6

About 2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid

2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid (PubChem CID 63773832) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid
PubChem CID63773832
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid
SMILESNc1ccccc1N(CCc1cccs1)CC(=O)O
InChIInChI=1S/C14H16N2O2S/c15-12-5-1-2-6-13(12)16(10-14(17)18)8-7-11-4-3-9-19-11/h1-6,9H,7-8,10,15H2,(H,17,18)
InChIKeyAMUFLDFHTMKSIG-UHFFFAOYSA-N
XLogP2.46
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid
CID 80696045
2-[carboxymethyl(2-thiophen-2-ylethyl)amino]acetic acid
CID 63775158
2-[4-chloro-N-(2-thiophen-2-ylethyl)anilino]acetic acid
CID 63775345
2-[2-fluoro-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39364504
2-[2-methyl-N-(thiophen-2-ylmethyl)anilino]acetic acid
CID 39361394
2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
CID 63118751
2-amino-N-methyl-N-(2-thiophen-2-ylethyl)benzamide
CID 79019362
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
N-(2-aminophenyl)-N-(2-hydroxyethyl)-2-thiophen-2-ylacetamide
CID 43547876
2-[2-amino-N-[(2,6-difluorophenyl)methyl]anilino]acetic acid
CID 114930488
2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid
CID 82898998
2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]aniline
CID 63774945

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid?
The IUPAC name of 2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid (CID 63773832) is 2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid?
The canonical SMILES for 2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid is Nc1ccccc1N(CCc1cccs1)CC(=O)O.
What is the InChIKey of 2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid?
The InChIKey is AMUFLDFHTMKSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c15-12-5-1-2-6-13(12)16(10-14(17)18)8-7-11-4-3-9-19-11/h1-6,9H,7-8,10,15H2,(H,17,18).
What are the key properties of 2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid?
2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid has a molecular weight of 276.36 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-(2-thiophen-2-ylethyl)anilino]acetic acid is sourced from PubChem (CID 63773832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).