3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid

C14H16N2O3 — CID 60988202

IUPAC3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
SMILESCN(CCC(=O)O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C14H16N2O3/c1-16(8-7-14(17)18)10-12-9-13(19-15-12)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,17,18)
InChIKeyOUPQMWBAGLXUNE-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.25
Rot. Bonds6

About 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid

3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid (PubChem CID 60988202) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
PubChem CID60988202
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid
SMILESCN(CCC(=O)O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C14H16N2O3/c1-16(8-7-14(17)18)10-12-9-13(19-15-12)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,17,18)
InChIKeyOUPQMWBAGLXUNE-UHFFFAOYSA-N
XLogP2.25
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid (CID 60988202) is 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid is CN(CCC(=O)O)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid?
The InChIKey is OUPQMWBAGLXUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16(8-7-14(17)18)10-12-9-13(19-15-12)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,17,18).
What are the key properties of 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid?
3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 60988202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).