2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid

C15H18N2O4 — CID 81369512

IUPAC2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)C1CC(c2ccccc2)=NO1)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-15(2,14(19)20)9-16-13(18)12-8-11(17-21-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyILFHQBBAQWBUFE-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.41
Rot. Bonds5

About 2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid

2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 81369512) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID81369512
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)(CNC(=O)C1CC(c2ccccc2)=NO1)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-15(2,14(19)20)9-16-13(18)12-8-11(17-21-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyILFHQBBAQWBUFE-UHFFFAOYSA-N
XLogP1.41
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic 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 2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid (CID 81369512) is 2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid is CC(C)(CNC(=O)C1CC(c2ccccc2)=NO1)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is ILFHQBBAQWBUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,14(19)20)9-16-13(18)12-8-11(17-21-12)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid?
2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-phenyl-4,5-dihydro-1,2-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 81369512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).