2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid

C11H18N2O3 — CID 82317922

IUPAC2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid
SMILESCCCN(CC(C)C(=O)O)c1cc(C)on1
InChIInChI=1S/C11H18N2O3/c1-4-5-13(7-8(2)11(14)15)10-6-9(3)16-12-10/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyYLIAQEJTLKIDPU-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.92
Rot. Bonds6

About 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid

2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid (PubChem CID 82317922) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid
PubChem CID82317922
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid
SMILESCCCN(CC(C)C(=O)O)c1cc(C)on1
InChIInChI=1S/C11H18N2O3/c1-4-5-13(7-8(2)11(14)15)10-6-9(3)16-12-10/h6,8H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyYLIAQEJTLKIDPU-UHFFFAOYSA-N
XLogP1.92
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid (CID 82317922) is 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid is CCCN(CC(C)C(=O)O)c1cc(C)on1.
What is the InChIKey of 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid?
The InChIKey is YLIAQEJTLKIDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-4-5-13(7-8(2)11(14)15)10-6-9(3)16-12-10/h6,8H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid?
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid has a molecular weight of 226.28 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-propylamino]propanoic acid is sourced from PubChem (CID 82317922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).