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

C11H16N2O3 — CID 82317720

IUPAC2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-prop-2-enylamino]propanoic acid
SMILESC=CCN(CC(C)C(=O)O)c1cc(C)on1
InChIInChI=1S/C11H16N2O3/c1-4-5-13(7-8(2)11(14)15)10-6-9(3)16-12-10/h4,6,8H,1,5,7H2,2-3H3,(H,14,15)
InChIKeyYDJBNRNEDAOYEY-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.70
Rot. Bonds6

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

2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-prop-2-enylamino]propanoic acid (PubChem CID 82317720) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-prop-2-enylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-prop-2-enylamino]propanoic acid
PubChem CID82317720
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-prop-2-enylamino]propanoic acid
SMILESC=CCN(CC(C)C(=O)O)c1cc(C)on1
InChIInChI=1S/C11H16N2O3/c1-4-5-13(7-8(2)11(14)15)10-6-9(3)16-12-10/h4,6,8H,1,5,7H2,2-3H3,(H,14,15)
InChIKeyYDJBNRNEDAOYEY-UHFFFAOYSA-N
XLogP1.70
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-prop-2-enylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-prop-2-enylamino]propanoic acid (CID 82317720) is 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-prop-2-enylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-prop-2-enylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-prop-2-enylamino]propanoic acid is C=CCN(CC(C)C(=O)O)c1cc(C)on1.
What is the InChIKey of 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-prop-2-enylamino]propanoic acid?
The InChIKey is YDJBNRNEDAOYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-4-5-13(7-8(2)11(14)15)10-6-9(3)16-12-10/h4,6,8H,1,5,7H2,2-3H3,(H,14,15).
What are the key properties of 2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-prop-2-enylamino]propanoic acid?
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)-prop-2-enylamino]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.70, 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)-prop-2-enylamino]propanoic acid is sourced from PubChem (CID 82317720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).