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

C8H11N3O3 — CID 60834186

IUPAC2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ncon1)C1CC1
InChIInChI=1S/C8H11N3O3/c12-8(13)4-11(6-1-2-6)3-7-9-5-14-10-7/h5-6H,1-4H2,(H,12,13)
InChIKeyPYTZPQWGDVLQAC-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.12
Rot. Bonds5

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

2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (PubChem CID 60834186) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
PubChem CID60834186
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ncon1)C1CC1
InChIInChI=1S/C8H11N3O3/c12-8(13)4-11(6-1-2-6)3-7-9-5-14-10-7/h5-6H,1-4H2,(H,12,13)
InChIKeyPYTZPQWGDVLQAC-UHFFFAOYSA-N
XLogP0.12
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (CID 60834186) is 2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is O=C(O)CN(Cc1ncon1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The InChIKey is PYTZPQWGDVLQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c12-8(13)4-11(6-1-2-6)3-7-9-5-14-10-7/h5-6H,1-4H2,(H,12,13).
What are the key properties of 2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid has a molecular weight of 197.19 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 60834186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).