2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid

C13H20N2O3S — CID 113308183

IUPAC2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
SMILESCCC(NC(=O)NCC(C)(C)C(=O)O)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-4-9(10-6-5-7-19-10)15-12(18)14-8-13(2,3)11(16)17/h5-7,9H,4,8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyDILSEQIUQQGONY-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.61
Rot. Bonds6

About 2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid

2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid (PubChem CID 113308183) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
PubChem CID113308183
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid
SMILESCCC(NC(=O)NCC(C)(C)C(=O)O)c1cccs1
InChIInChI=1S/C13H20N2O3S/c1-4-9(10-6-5-7-19-10)15-12(18)14-8-13(2,3)11(16)17/h5-7,9H,4,8H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyDILSEQIUQQGONY-UHFFFAOYSA-N
XLogP2.61
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)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
1-benzyl-3-(1-thiophen-2-ylpropyl)urea
CID 47322594
3-[(2-amino-2-thiophen-2-ylacetyl)amino]-2,2-dimethylpropanoic acid
CID 113308017
1-(2-hydroxy-3-methylpentyl)-3-(1-thiophen-2-ylpropyl)urea
CID 111338206
2-methyl-2-[methyl(1-thiophen-2-ylpropylcarbamoyl)amino]propanoic acid
CID 55123900
1-[(1-hydroxycyclopentyl)methyl]-3-(1-thiophen-2-ylpropyl)urea
CID 111104096
(2R)-4-amino-4-oxo-2-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 107826898
2-hydroxy-2-methyl-3-[(2-methyl-1-thiophen-2-ylpropyl)carbamoylamino]propanoic acid
CID 66177213
2-methyl-N-(1-thiophen-2-ylpropyl)propanamide
CID 61073106
3-methyl-5-oxo-5-(1-thiophen-2-ylpropylcarbamoylamino)pentanoic acid
CID 62963797
(2S)-4-hydroxy-2-(1-thiophen-2-ylpropylcarbamoylamino)butanoic acid
CID 107826899
2-bromo-N-(1-thiophen-2-ylpropyl)acetamide
CID 63678603

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid?
The IUPAC name of 2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid (CID 113308183) is 2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid is CCC(NC(=O)NCC(C)(C)C(=O)O)c1cccs1.
What is the InChIKey of 2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid?
The InChIKey is DILSEQIUQQGONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-4-9(10-6-5-7-19-10)15-12(18)14-8-13(2,3)11(16)17/h5-7,9H,4,8H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid?
2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-thiophen-2-ylpropylcarbamoylamino)propanoic acid is sourced from PubChem (CID 113308183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).