2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid

C9H12N2O3S — CID 115286833

IUPAC2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C(N)c1cccs1
InChIInChI=1S/C9H12N2O3S/c1-11(5-7(12)13)9(14)8(10)6-3-2-4-15-6/h2-4,8H,5,10H2,1H3,(H,12,13)
InChIKeyHNFWZPGLVGXEKW-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.29
Rot. Bonds4

About 2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid

2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid (PubChem CID 115286833) has the molecular formula C9H12N2O3S and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid
PubChem CID115286833
Molecular FormulaC9H12N2O3S
Molecular Weight228.27 g/mol
Exact Mass228.06
IUPAC Name2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)C(N)c1cccs1
InChIInChI=1S/C9H12N2O3S/c1-11(5-7(12)13)9(14)8(10)6-3-2-4-15-6/h2-4,8H,5,10H2,1H3,(H,12,13)
InChIKeyHNFWZPGLVGXEKW-UHFFFAOYSA-N
XLogP0.29
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]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-amino-N-[2-(dimethylamino)ethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115287286
2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 105417448
2-amino-N-methyl-N-[2-(methylamino)ethyl]-2-thiophen-2-ylacetamide
CID 115287330
2-amino-N,N-bis(2-amino-2-oxoethyl)-2-thiophen-2-ylacetamide
CID 113279235
2-amino-N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286743
2-amino-N-(2-amino-2-oxoethyl)-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115286709
2-amino-N-methyl-N-propan-2-yl-2-thiophen-2-ylacetamide
CID 115285914
2-amino-N-[(4-fluorophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286090
2-amino-N-methyl-2-thiophen-2-yl-N-(1-thiophen-2-ylethyl)acetamide
CID 115286728
2-amino-N-[(3-bromophenyl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 115286812
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 115287084
2-amino-N-methyl-N-(2-pyridin-2-ylethyl)-2-thiophen-2-ylacetamide
CID 115285974

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid (CID 115286833) is 2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)C(N)c1cccs1.
What is the InChIKey of 2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid?
The InChIKey is HNFWZPGLVGXEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S/c1-11(5-7(12)13)9(14)8(10)6-3-2-4-15-6/h2-4,8H,5,10H2,1H3,(H,12,13).
What are the key properties of 2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid?
2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid has a molecular weight of 228.27 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-thiophen-2-ylacetyl)-methylamino]acetic acid is sourced from PubChem (CID 115286833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).