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

C8H13N3O3 — CID 61497413

IUPAC2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid
SMILESCC(C)c1nc(CNCC(=O)O)no1
InChIInChI=1S/C8H13N3O3/c1-5(2)8-10-6(11-14-8)3-9-4-7(12)13/h5,9H,3-4H2,1-2H3,(H,12,13)
InChIKeySKXZVLNGAHENOW-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.37
Rot. Bonds5

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

2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid (PubChem CID 61497413) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid
PubChem CID61497413
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid
SMILESCC(C)c1nc(CNCC(=O)O)no1
InChIInChI=1S/C8H13N3O3/c1-5(2)8-10-6(11-14-8)3-9-4-7(12)13/h5,9H,3-4H2,1-2H3,(H,12,13)
InChIKeySKXZVLNGAHENOW-UHFFFAOYSA-N
XLogP0.37
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid?
The IUPAC name of 2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid (CID 61497413) is 2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid is CC(C)c1nc(CNCC(=O)O)no1.
What is the InChIKey of 2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid?
The InChIKey is SKXZVLNGAHENOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(2)8-10-6(11-14-8)3-9-4-7(12)13/h5,9H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid?
2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid has a molecular weight of 199.21 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methylamino]acetic acid is sourced from PubChem (CID 61497413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).