3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid

C11H16N2O3S — CID 113308017

IUPAC3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C(N)c1cccs1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-11(2,10(15)16)6-13-9(14)8(12)7-4-3-5-17-7/h3-5,8H,6,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyMESFJGOJBTWTLD-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.97
Rot. Bonds5

About 3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid

3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 113308017) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid
PubChem CID113308017
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid
SMILESCC(C)(CNC(=O)C(N)c1cccs1)C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-11(2,10(15)16)6-13-9(14)8(12)7-4-3-5-17-7/h3-5,8H,6,12H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyMESFJGOJBTWTLD-UHFFFAOYSA-N
XLogP0.97
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic 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-hydroxy-2,4-dimethylpentyl)-2-thiophen-2-ylacetamide
CID 113279319
2-amino-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 115285812
2-amino-N-[(2R)-2-hydroxypropyl]-2-thiophen-2-ylacetamide
CID 107221006
2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
CID 113308183
4-[(2-amino-2-thiophen-2-ylacetyl)amino]-3-methylbutanoic acid
CID 113279358
2-amino-N-(2-methylbutyl)-2-thiophen-2-ylacetamide
CID 115287191
(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-3,3-dimethylbutanoic acid
CID 113353099
2-amino-N-(3-phenylbutyl)-2-thiophen-2-ylacetamide
CID 115287214
2-amino-N-(2-methoxypropyl)-2-thiophen-2-ylacetamide
CID 102695079
(2R)-2-amino-N-(2-methyl-2-thiophen-2-ylpropyl)-2-phenylacetamide
CID 80527246
3-[2-[(2-amino-2-thiophen-2-ylacetyl)amino]ethyl]benzoic acid
CID 115287296
2-amino-N-(1,3-dihydroxypropan-2-yl)-2-thiophen-2-ylacetamide
CID 115287404

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid (CID 113308017) is 3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid is CC(C)(CNC(=O)C(N)c1cccs1)C(=O)O.
What is the InChIKey of 3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is MESFJGOJBTWTLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-11(2,10(15)16)6-13-9(14)8(12)7-4-3-5-17-7/h3-5,8H,6,12H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid?
3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 256.33 g/mol, XLogP of 0.97, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 113308017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).