2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid

C13H20N2O3S — CID 55123900

IUPAC2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid
SMILESCCC(NC(=O)N(C)C(C)(C)C(=O)O)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-5-9(10-7-6-8-19-10)14-12(18)15(4)13(2,3)11(16)17/h6-9H,5H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyQZVREOQOWNNJHH-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.70
Rot. Bonds5

About 2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid

2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid (PubChem CID 55123900) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid
PubChem CID55123900
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid
SMILESCCC(NC(=O)N(C)C(C)(C)C(=O)O)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-5-9(10-7-6-8-19-10)14-12(18)15(4)13(2,3)11(16)17/h6-9H,5H2,1-4H3,(H,14,18)(H,16,17)
InChIKeyQZVREOQOWNNJHH-UHFFFAOYSA-N
XLogP2.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic 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-dimethyl-4-oxo-4-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 65299793
2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
CID 113308183
3-[ethyl(1-thiophen-2-ylpropylcarbamoyl)amino]-2-methylpropanoic acid
CID 62853749
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603
2-bromo-N-(1-thiophen-2-ylpropyl)propanamide
CID 82110517
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(1R)-1-thiophen-2-ylpropyl]urea
CID 94668730
1-benzyl-3-(1-thiophen-2-ylpropyl)urea
CID 47322594
1-(1-thiophen-2-ylpropylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62096618
(2R)-4-amino-4-oxo-2-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 107826898
2-methyl-2-(1-thiophen-2-ylbutylamino)propanoic acid
CID 114996883
5-(1-thiophen-2-ylpropylcarbamoyl)furan-3-carboxylic acid
CID 113432279

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid (CID 55123900) is 2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid is CCC(NC(=O)N(C)C(C)(C)C(=O)O)c1cccs1.
What is the InChIKey of 2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid?
The InChIKey is QZVREOQOWNNJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-9(10-7-6-8-19-10)14-12(18)15(4)13(2,3)11(16)17/h6-9H,5H2,1-4H3,(H,14,18)(H,16,17).
What are the key properties of 2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid?
2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 55123900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).