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

C11H16N2O3 — CID 114999018

IUPAC2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
SMILESCc1cc(CNC(C)(C(=O)O)C2CC2)on1
InChIInChI=1S/C11H16N2O3/c1-7-5-9(16-13-7)6-12-11(2,10(14)15)8-3-4-8/h5,8,12H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyZMEBFEWVWFGUEP-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.33
Rot. Bonds5

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

2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid (PubChem CID 114999018) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
PubChem CID114999018
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
SMILESCc1cc(CNC(C)(C(=O)O)C2CC2)on1
InChIInChI=1S/C11H16N2O3/c1-7-5-9(16-13-7)6-12-11(2,10(14)15)8-3-4-8/h5,8,12H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyZMEBFEWVWFGUEP-UHFFFAOYSA-N
XLogP1.33
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid (CID 114999018) is 2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid is Cc1cc(CNC(C)(C(=O)O)C2CC2)on1.
What is the InChIKey of 2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid?
The InChIKey is ZMEBFEWVWFGUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-5-9(16-13-7)6-12-11(2,10(14)15)8-3-4-8/h5,8,12H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid?
2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid is sourced from PubChem (CID 114999018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).