2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid

C11H18N2O3 — CID 65265210

IUPAC2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid
SMILESCC(C)(NCc1cnoc1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-10(2,9(14)15)11(3,4)12-5-8-6-13-16-7-8/h6-7,12H,5H2,1-4H3,(H,14,15)
InChIKeyREWJZCCUCIHPDS-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.65
Rot. Bonds5

About 2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid

2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid (PubChem CID 65265210) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid
PubChem CID65265210
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid
SMILESCC(C)(NCc1cnoc1)C(C)(C)C(=O)O
InChIInChI=1S/C11H18N2O3/c1-10(2,9(14)15)11(3,4)12-5-8-6-13-16-7-8/h6-7,12H,5H2,1-4H3,(H,14,15)
InChIKeyREWJZCCUCIHPDS-UHFFFAOYSA-N
XLogP1.65
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid (CID 65265210) is 2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid is CC(C)(NCc1cnoc1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid?
The InChIKey is REWJZCCUCIHPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-10(2,9(14)15)11(3,4)12-5-8-6-13-16-7-8/h6-7,12H,5H2,1-4H3,(H,14,15).
What are the key properties of 2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid?
2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-(1,2-oxazol-4-ylmethylamino)butanoic acid is sourced from PubChem (CID 65265210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).