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

C11H16N2O4 — CID 119209404

IUPAC2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)N(C)C(C)C(=O)O)on1
InChIInChI=1S/C11H16N2O4/c1-6(2)8-5-9(17-12-8)10(14)13(4)7(3)11(15)16/h5-7H,1-4H3,(H,15,16)
InChIKeyKAFWTEZRLPAKCJ-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.34
Rot. Bonds4

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

2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid (PubChem CID 119209404) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
PubChem CID119209404
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid
SMILESCC(C)c1cc(C(=O)N(C)C(C)C(=O)O)on1
InChIInChI=1S/C11H16N2O4/c1-6(2)8-5-9(17-12-8)10(14)13(4)7(3)11(15)16/h5-7H,1-4H3,(H,15,16)
InChIKeyKAFWTEZRLPAKCJ-UHFFFAOYSA-N
XLogP1.34
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid (CID 119209404) is 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid is CC(C)c1cc(C(=O)N(C)C(C)C(=O)O)on1.
What is the InChIKey of 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
The InChIKey is KAFWTEZRLPAKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6(2)8-5-9(17-12-8)10(14)13(4)7(3)11(15)16/h5-7H,1-4H3,(H,15,16).
What are the key properties of 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid?
2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(3-propan-2-yl-1,2-oxazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 119209404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).