3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid

C9H14N2O3 — CID 84668217

IUPAC3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid
SMILESCC(C)c1noc(N)c1CCC(=O)O
InChIInChI=1S/C9H14N2O3/c1-5(2)8-6(3-4-7(12)13)9(10)14-11-8/h5H,3-4,10H2,1-2H3,(H,12,13)
InChIKeyGQVJQOBUUMGGPE-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.40
Rot. Bonds4

About 3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid

3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid (PubChem CID 84668217) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid
PubChem CID84668217
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid
SMILESCC(C)c1noc(N)c1CCC(=O)O
InChIInChI=1S/C9H14N2O3/c1-5(2)8-6(3-4-7(12)13)9(10)14-11-8/h5H,3-4,10H2,1-2H3,(H,12,13)
InChIKeyGQVJQOBUUMGGPE-UHFFFAOYSA-N
XLogP1.40
TPSA89.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid?
The IUPAC name of 3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid (CID 84668217) is 3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid?
The canonical SMILES for 3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid is CC(C)c1noc(N)c1CCC(=O)O.
What is the InChIKey of 3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid?
The InChIKey is GQVJQOBUUMGGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(2)8-6(3-4-7(12)13)9(10)14-11-8/h5H,3-4,10H2,1-2H3,(H,12,13).
What are the key properties of 3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid?
3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid has a molecular weight of 198.22 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-propan-2-yl-1,2-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 84668217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).