3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid

C12H21N3O3 — CID 60833823

IUPAC3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
SMILESCCc1nnc(CN(CCC(=O)O)C(C)(C)C)o1
InChIInChI=1S/C12H21N3O3/c1-5-9-13-14-10(18-9)8-15(12(2,3)4)7-6-11(16)17/h5-8H2,1-4H3,(H,16,17)
InChIKeyYRQRFXHLMUTKDA-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.71
Rot. Bonds6

About 3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid

3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid (PubChem CID 60833823) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
PubChem CID60833823
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
SMILESCCc1nnc(CN(CCC(=O)O)C(C)(C)C)o1
InChIInChI=1S/C12H21N3O3/c1-5-9-13-14-10(18-9)8-15(12(2,3)4)7-6-11(16)17/h5-8H2,1-4H3,(H,16,17)
InChIKeyYRQRFXHLMUTKDA-UHFFFAOYSA-N
XLogP1.71
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]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-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid (CID 60833823) is 3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid is CCc1nnc(CN(CCC(=O)O)C(C)(C)C)o1.
What is the InChIKey of 3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid?
The InChIKey is YRQRFXHLMUTKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-5-9-13-14-10(18-9)8-15(12(2,3)4)7-6-11(16)17/h5-8H2,1-4H3,(H,16,17).
What are the key properties of 3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid?
3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid has a molecular weight of 255.32 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 60833823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).