2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid

C10H17N3O3 — CID 43442635

IUPAC2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1nc(C(C)(C)C)no1
InChIInChI=1S/C10H17N3O3/c1-10(2,3)9-11-7(16-12-9)5-13(4)6-8(14)15/h5-6H2,1-4H3,(H,14,15)
InChIKeyUZKKIOJBPNXGOK-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.88
Rot. Bonds4

About 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid

2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid (PubChem CID 43442635) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
PubChem CID43442635
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1nc(C(C)(C)C)no1
InChIInChI=1S/C10H17N3O3/c1-10(2,3)9-11-7(16-12-9)5-13(4)6-8(14)15/h5-6H2,1-4H3,(H,14,15)
InChIKeyUZKKIOJBPNXGOK-UHFFFAOYSA-N
XLogP0.88
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid (CID 43442635) is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid is CN(CC(=O)O)Cc1nc(C(C)(C)C)no1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid?
The InChIKey is UZKKIOJBPNXGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-10(2,3)9-11-7(16-12-9)5-13(4)6-8(14)15/h5-6H2,1-4H3,(H,14,15).
What are the key properties of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid?
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid has a molecular weight of 227.26 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid is sourced from PubChem (CID 43442635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).