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

C6H9N3O3 — CID 43466224

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
SMILESCc1noc(CNCC(=O)O)n1
InChIInChI=1S/C6H9N3O3/c1-4-8-5(12-9-4)2-7-3-6(10)11/h7H,2-3H2,1H3,(H,10,11)
InChIKeySFSBRVMJNKHOCD-UHFFFAOYSA-N
MW171.16 g/mol
LogP-0.45
Rot. Bonds4

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

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid (PubChem CID 43466224) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
PubChem CID43466224
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
SMILESCc1noc(CNCC(=O)O)n1
InChIInChI=1S/C6H9N3O3/c1-4-8-5(12-9-4)2-7-3-6(10)11/h7H,2-3H2,1H3,(H,10,11)
InChIKeySFSBRVMJNKHOCD-UHFFFAOYSA-N
XLogP-0.45
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid (CID 43466224) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid is Cc1noc(CNCC(=O)O)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
The InChIKey is SFSBRVMJNKHOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-4-8-5(12-9-4)2-7-3-6(10)11/h7H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid has a molecular weight of 171.16 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid is sourced from PubChem (CID 43466224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).