3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid

C10H14N2O3S — CID 63244280

IUPAC3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NCc1ccsc1
InChIInChI=1S/C10H14N2O3S/c1-12(4-2-9(13)14)10(15)11-6-8-3-5-16-7-8/h3,5,7H,2,4,6H2,1H3,(H,11,15)(H,13,14)
InChIKeyQBBPEMWWMVLBEE-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.36
Rot. Bonds5

About 3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid

3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid (PubChem CID 63244280) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid
PubChem CID63244280
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NCc1ccsc1
InChIInChI=1S/C10H14N2O3S/c1-12(4-2-9(13)14)10(15)11-6-8-3-5-16-7-8/h3,5,7H,2,4,6H2,1H3,(H,11,15)(H,13,14)
InChIKeyQBBPEMWWMVLBEE-UHFFFAOYSA-N
XLogP1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid (CID 63244280) is 3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)NCc1ccsc1.
What is the InChIKey of 3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid?
The InChIKey is QBBPEMWWMVLBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-12(4-2-9(13)14)10(15)11-6-8-3-5-16-7-8/h3,5,7H,2,4,6H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid?
3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid has a molecular weight of 242.30 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(thiophen-3-ylmethylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 63244280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).