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

C11H15NO4S — CID 59302546

IUPAC2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid
SMILESCCOC(=O)N(CCc1ccsc1)CC(=O)O
InChIInChI=1S/C11H15NO4S/c1-2-16-11(15)12(7-10(13)14)5-3-9-4-6-17-8-9/h4,6,8H,2-3,5,7H2,1H3,(H,13,14)
InChIKeySMTHGRCFRXOXCM-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.83
Rot. Bonds6

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

2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid (PubChem CID 59302546) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid
PubChem CID59302546
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid
SMILESCCOC(=O)N(CCc1ccsc1)CC(=O)O
InChIInChI=1S/C11H15NO4S/c1-2-16-11(15)12(7-10(13)14)5-3-9-4-6-17-8-9/h4,6,8H,2-3,5,7H2,1H3,(H,13,14)
InChIKeySMTHGRCFRXOXCM-UHFFFAOYSA-N
XLogP1.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]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

Frequently Asked Questions

What is the IUPAC name of 2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid?
The IUPAC name of 2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid (CID 59302546) is 2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid.
What is the SMILES notation for 2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid?
The canonical SMILES for 2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid is CCOC(=O)N(CCc1ccsc1)CC(=O)O.
What is the InChIKey of 2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid?
The InChIKey is SMTHGRCFRXOXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-2-16-11(15)12(7-10(13)14)5-3-9-4-6-17-8-9/h4,6,8H,2-3,5,7H2,1H3,(H,13,14).
What are the key properties of 2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid?
2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid has a molecular weight of 257.31 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethoxycarbonyl(2-thiophen-3-ylethyl)amino]acetic acid is sourced from PubChem (CID 59302546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).