3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid

C10H17N3O3 — CID 60833660

IUPAC3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)Cc1ncon1
InChIInChI=1S/C10H17N3O3/c1-10(2,3)13(5-4-9(14)15)6-8-11-7-16-12-8/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyZQQZVIQGUTUNQI-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.14
Rot. Bonds5

About 3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid

3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid (PubChem CID 60833660) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
PubChem CID60833660
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)Cc1ncon1
InChIInChI=1S/C10H17N3O3/c1-10(2,3)13(5-4-9(14)15)6-8-11-7-16-12-8/h7H,4-6H2,1-3H3,(H,14,15)
InChIKeyZQQZVIQGUTUNQI-UHFFFAOYSA-N
XLogP1.14
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2,4-Oxadiazol-3-yl)propanoic acid
CID 145669557
3-(1,2,4-Oxadiazol-3-ylmethylamino)propanoic acid
CID 43466754
3-[4-(1,2,4-Oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 43522479
3-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methyl-ethylamino]propanoic acid
CID 54899462
3-[Propan-2-yl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 54959301
3-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl-propan-2-ylamino]propanoic acid
CID 54959733
3-[Tert-butyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 54959779
2-Methyl-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 55007458
3-[Ethyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 55122571
3-[Ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2-methylpropanoic acid
CID 55122671
4-[1,2,4-Oxadiazol-3-ylmethyl(propan-2-yl)amino]butanoic acid
CID 60832989
2-[Butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 60833259

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid (CID 60833660) is 3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid is CC(C)(C)N(CCC(=O)O)Cc1ncon1.
What is the InChIKey of 3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The InChIKey is ZQQZVIQGUTUNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(2,3)13(5-4-9(14)15)6-8-11-7-16-12-8/h7H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 60833660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).