2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid

C15H16N2O3S — CID 106925024

IUPAC2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid
SMILESO=C(O)C(CSc1ncco1)(NC1CC1)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c18-13(19)15(17-12-6-7-12,11-4-2-1-3-5-11)10-21-14-16-8-9-20-14/h1-5,8-9,12,17H,6-7,10H2,(H,18,19)
InChIKeyJPNYSADTQFGFIX-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.50
Rot. Bonds7

About 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid

2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid (PubChem CID 106925024) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid
PubChem CID106925024
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid
SMILESO=C(O)C(CSc1ncco1)(NC1CC1)c1ccccc1
InChIInChI=1S/C15H16N2O3S/c18-13(19)15(17-12-6-7-12,11-4-2-1-3-5-11)10-21-14-16-8-9-20-14/h1-5,8-9,12,17H,6-7,10H2,(H,18,19)
InChIKeyJPNYSADTQFGFIX-UHFFFAOYSA-N
XLogP2.50
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid?
The IUPAC name of 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid (CID 106925024) is 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid is O=C(O)C(CSc1ncco1)(NC1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid?
The InChIKey is JPNYSADTQFGFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-13(19)15(17-12-6-7-12,11-4-2-1-3-5-11)10-21-14-16-8-9-20-14/h1-5,8-9,12,17H,6-7,10H2,(H,18,19).
What are the key properties of 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid?
2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-(1,3-oxazol-2-ylsulfanyl)-2-phenylpropanoic acid is sourced from PubChem (CID 106925024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).