2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid

C11H18N2O3 — CID 43466861

IUPAC2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid
SMILESCC(NCc1ncc(C(C)(C)C)o1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-7(10(14)15)12-6-9-13-5-8(16-9)11(2,3)4/h5,7,12H,6H2,1-4H3,(H,14,15)
InChIKeyMSZQQYQWYXQWIN-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.53
Rot. Bonds4

About 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid

2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid (PubChem CID 43466861) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid
PubChem CID43466861
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid
SMILESCC(NCc1ncc(C(C)(C)C)o1)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-7(10(14)15)12-6-9-13-5-8(16-9)11(2,3)4/h5,7,12H,6H2,1-4H3,(H,14,15)
InChIKeyMSZQQYQWYXQWIN-UHFFFAOYSA-N
XLogP1.53
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid?
The IUPAC name of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid (CID 43466861) is 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid?
The canonical SMILES for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid is CC(NCc1ncc(C(C)(C)C)o1)C(=O)O.
What is the InChIKey of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid?
The InChIKey is MSZQQYQWYXQWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(10(14)15)12-6-9-13-5-8(16-9)11(2,3)4/h5,7,12H,6H2,1-4H3,(H,14,15).
What are the key properties of 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid?
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]propanoic acid is sourced from PubChem (CID 43466861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).