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

C10H15N3O3 — CID 60834603

IUPAC2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ncon1)C1CCCC1
InChIInChI=1S/C10H15N3O3/c14-10(15)6-13(8-3-1-2-4-8)5-9-11-7-16-12-9/h7-8H,1-6H2,(H,14,15)
InChIKeyNZAORTXBMHTPDL-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.90
Rot. Bonds5

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

2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (PubChem CID 60834603) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
PubChem CID60834603
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
SMILESO=C(O)CN(Cc1ncon1)C1CCCC1
InChIInChI=1S/C10H15N3O3/c14-10(15)6-13(8-3-1-2-4-8)5-9-11-7-16-12-9/h7-8H,1-6H2,(H,14,15)
InChIKeyNZAORTXBMHTPDL-UHFFFAOYSA-N
XLogP0.90
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid (CID 60834603) is 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is O=C(O)CN(Cc1ncon1)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
The InChIKey is NZAORTXBMHTPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c14-10(15)6-13(8-3-1-2-4-8)5-9-11-7-16-12-9/h7-8H,1-6H2,(H,14,15).
What are the key properties of 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid?
2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid has a molecular weight of 225.25 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid is sourced from PubChem (CID 60834603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).