3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid

C10H13NO3S — CID 61008719

IUPAC3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cccs1
InChIInChI=1S/C10H13NO3S/c1-2-11(6-5-9(12)13)10(14)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKeyMURLSDPMXFXJIW-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.68
Rot. Bonds5

About 3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid

3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid (PubChem CID 61008719) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid
PubChem CID61008719
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cccs1
InChIInChI=1S/C10H13NO3S/c1-2-11(6-5-9(12)13)10(14)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,12,13)
InChIKeyMURLSDPMXFXJIW-UHFFFAOYSA-N
XLogP1.68
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid (CID 61008719) is 3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cccs1.
What is the InChIKey of 3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid?
The InChIKey is MURLSDPMXFXJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-2-11(6-5-9(12)13)10(14)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,12,13).
What are the key properties of 3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid?
3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid has a molecular weight of 227.28 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(thiophene-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61008719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).