2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid

C8H13N3O3 — CID 60839968

IUPAC2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)Cc1ncon1
InChIInChI=1S/C8H13N3O3/c1-6(2)11(4-8(12)13)3-7-9-5-14-10-7/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyZLRLMIWQGOCYRV-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.36
Rot. Bonds5

About 2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid

2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid (PubChem CID 60839968) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid
PubChem CID60839968
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)Cc1ncon1
InChIInChI=1S/C8H13N3O3/c1-6(2)11(4-8(12)13)3-7-9-5-14-10-7/h5-6H,3-4H2,1-2H3,(H,12,13)
InChIKeyZLRLMIWQGOCYRV-UHFFFAOYSA-N
XLogP0.36
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid?
The IUPAC name of 2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid (CID 60839968) is 2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid?
The canonical SMILES for 2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid is CC(C)N(CC(=O)O)Cc1ncon1.
What is the InChIKey of 2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid?
The InChIKey is ZLRLMIWQGOCYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-6(2)11(4-8(12)13)3-7-9-5-14-10-7/h5-6H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid?
2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid has a molecular weight of 199.21 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,4-oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid is sourced from PubChem (CID 60839968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).