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

C11H16N2O3S — CID 62639758

IUPAC2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid
SMILESCC(NC(=O)N(C)C(C)C(=O)O)c1cccs1
InChIInChI=1S/C11H16N2O3S/c1-7(9-5-4-6-17-9)12-11(16)13(3)8(2)10(14)15/h4-8H,1-3H3,(H,12,16)(H,14,15)
InChIKeyWLNRXNBISGTKPL-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.92
Rot. Bonds4

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

2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid (PubChem CID 62639758) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid
PubChem CID62639758
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid
SMILESCC(NC(=O)N(C)C(C)C(=O)O)c1cccs1
InChIInChI=1S/C11H16N2O3S/c1-7(9-5-4-6-17-9)12-11(16)13(3)8(2)10(14)15/h4-8H,1-3H3,(H,12,16)(H,14,15)
InChIKeyWLNRXNBISGTKPL-UHFFFAOYSA-N
XLogP1.92
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(1-thiophen-2-ylpropan-2-ylcarbamoyl)amino]propanoic acid
CID 63292232
(2R)-2-[[2-oxo-2-(1-thiophen-2-ylethylamino)ethyl]amino]propanoic acid
CID 83193853
N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 768439
(2S)-3-methyl-2-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
CID 61199612
(2R)-4-methyl-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
CID 78976302
(E)-N-[(1S)-1-thiophen-2-ylethyl]but-2-enamide
CID 81409323
(2S)-4-hydroxy-2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]butanoic acid
CID 114005529
2-[[methyl(pentan-3-yl)carbamoyl]amino]-2-thiophen-2-ylacetic acid
CID 115285250
2,2-dimethyl-N-[(1R)-1-thiophen-2-ylethyl]propanamide
CID 81408910
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
4-oxo-4-(1-thiophen-2-ylethylamino)butanoic acid
CID 43399724
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid (CID 62639758) is 2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid is CC(NC(=O)N(C)C(C)C(=O)O)c1cccs1.
What is the InChIKey of 2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid?
The InChIKey is WLNRXNBISGTKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-7(9-5-4-6-17-9)12-11(16)13(3)8(2)10(14)15/h4-8H,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid?
2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid has a molecular weight of 256.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1-thiophen-2-ylethylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 62639758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).