3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid

C14H14N2O3S — CID 2824439

IUPAC3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)Nc1ccccc1)c1ccsc1
InChIInChI=1S/C14H14N2O3S/c17-13(18)8-12(10-6-7-20-9-10)16-14(19)15-11-4-2-1-3-5-11/h1-7,9,12H,8H2,(H,17,18)(H2,15,16,19)
InChIKeyRAFQDBPFNASZSS-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.09
Rot. Bonds5

About 3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid

3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid (PubChem CID 2824439) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid.

Molecular Properties

Compound Name3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid
PubChem CID2824439
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid
SMILESO=C(O)CC(NC(=O)Nc1ccccc1)c1ccsc1
InChIInChI=1S/C14H14N2O3S/c17-13(18)8-12(10-6-7-20-9-10)16-14(19)15-11-4-2-1-3-5-11/h1-7,9,12H,8H2,(H,17,18)(H2,15,16,19)
InChIKeyRAFQDBPFNASZSS-UHFFFAOYSA-N
XLogP3.09
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid?
The IUPAC name of 3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid (CID 2824439) is 3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid.
What is the SMILES notation for 3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid?
The canonical SMILES for 3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid is O=C(O)CC(NC(=O)Nc1ccccc1)c1ccsc1.
What is the InChIKey of 3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid?
The InChIKey is RAFQDBPFNASZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-13(18)8-12(10-6-7-20-9-10)16-14(19)15-11-4-2-1-3-5-11/h1-7,9,12H,8H2,(H,17,18)(H2,15,16,19).
What are the key properties of 3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid?
3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid has a molecular weight of 290.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylcarbamoylamino)-3-thiophen-3-ylpropanoic acid is sourced from PubChem (CID 2824439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).