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

C17H20N2O4 — CID 120701444

IUPAC2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)NCC(C)(C(=O)O)c2ccccc2)on1
InChIInChI=1S/C17H20N2O4/c1-11(2)13-9-14(23-19-13)15(20)18-10-17(3,16(21)22)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyHTROBFWGTXEGIT-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.57
Rot. Bonds6

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

2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 120701444) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID120701444
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)NCC(C)(C(=O)O)c2ccccc2)on1
InChIInChI=1S/C17H20N2O4/c1-11(2)13-9-14(23-19-13)15(20)18-10-17(3,16(21)22)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyHTROBFWGTXEGIT-UHFFFAOYSA-N
XLogP2.57
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid (CID 120701444) is 2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid is CC(C)c1cc(C(=O)NCC(C)(C(=O)O)c2ccccc2)on1.
What is the InChIKey of 2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is HTROBFWGTXEGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(2)13-9-14(23-19-13)15(20)18-10-17(3,16(21)22)12-7-5-4-6-8-12/h4-9,11H,10H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 316.36 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-3-[(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120701444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).