3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid

C15H24N2O4 — CID 60827139

IUPAC3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1noc(C(C)C)c1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-9(2)13-12(10(3)16-21-13)14(20)17(15(4,5)6)8-7-11(18)19/h9H,7-8H2,1-6H3,(H,18,19)
InChIKeyIEYDOKXHXBVUMK-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.82
Rot. Bonds5

About 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid

3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid (PubChem CID 60827139) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
PubChem CID60827139
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1noc(C(C)C)c1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-9(2)13-12(10(3)16-21-13)14(20)17(15(4,5)6)8-7-11(18)19/h9H,7-8H2,1-6H3,(H,18,19)
InChIKeyIEYDOKXHXBVUMK-UHFFFAOYSA-N
XLogP2.82
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid (CID 60827139) is 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid is Cc1noc(C(C)C)c1C(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The InChIKey is IEYDOKXHXBVUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-9(2)13-12(10(3)16-21-13)14(20)17(15(4,5)6)8-7-11(18)19/h9H,7-8H2,1-6H3,(H,18,19).
What are the key properties of 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 60827139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).