2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid

C16H24N2O4 — CID 122067483

IUPAC2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCc1ncc(C(C)(C)C)o1)C1CC1
InChIInChI=1S/C16H24N2O4/c1-10(15(20)21)18(11-5-6-11)14(19)8-7-13-17-9-12(22-13)16(2,3)4/h9-11H,5-8H2,1-4H3,(H,20,21)
InChIKeyIYYVWAJNULFTHO-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.37
Rot. Bonds6

About 2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid

2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid (PubChem CID 122067483) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid.

Molecular Properties

Compound Name2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid
PubChem CID122067483
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid
SMILESCC(C(=O)O)N(C(=O)CCc1ncc(C(C)(C)C)o1)C1CC1
InChIInChI=1S/C16H24N2O4/c1-10(15(20)21)18(11-5-6-11)14(19)8-7-13-17-9-12(22-13)16(2,3)4/h9-11H,5-8H2,1-4H3,(H,20,21)
InChIKeyIYYVWAJNULFTHO-UHFFFAOYSA-N
XLogP2.37
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid?
The IUPAC name of 2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid (CID 122067483) is 2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid.
What is the SMILES notation for 2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid?
The canonical SMILES for 2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid is CC(C(=O)O)N(C(=O)CCc1ncc(C(C)(C)C)o1)C1CC1.
What is the InChIKey of 2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid?
The InChIKey is IYYVWAJNULFTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-10(15(20)21)18(11-5-6-11)14(19)8-7-13-17-9-12(22-13)16(2,3)4/h9-11H,5-8H2,1-4H3,(H,20,21).
What are the key properties of 2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid?
2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid has a molecular weight of 308.38 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-tert-butyl-1,3-oxazol-2-yl)propanoyl-cyclopropylamino]propanoic acid is sourced from PubChem (CID 122067483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).