methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate

C13H21N3O3 — CID 80710052

IUPACmethyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate
SMILESCCc1nc(CN(CC(=O)OC)C2CCCC2)no1
InChIInChI=1S/C13H21N3O3/c1-3-12-14-11(15-19-12)8-16(9-13(17)18-2)10-6-4-5-7-10/h10H,3-9H2,1-2H3
InChIKeyHMZPNAZRQIGVAZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.55
Rot. Bonds6

About methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate

methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate (PubChem CID 80710052) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate
PubChem CID80710052
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Namemethyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate
SMILESCCc1nc(CN(CC(=O)OC)C2CCCC2)no1
InChIInChI=1S/C13H21N3O3/c1-3-12-14-11(15-19-12)8-16(9-13(17)18-2)10-6-4-5-7-10/h10H,3-9H2,1-2H3
InChIKeyHMZPNAZRQIGVAZ-UHFFFAOYSA-N
XLogP1.55
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate?
The IUPAC name of methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate (CID 80710052) is methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate.
What is the SMILES notation for methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate?
The canonical SMILES for methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate is CCc1nc(CN(CC(=O)OC)C2CCCC2)no1.
What is the InChIKey of methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate?
The InChIKey is HMZPNAZRQIGVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-12-14-11(15-19-12)8-16(9-13(17)18-2)10-6-4-5-7-10/h10H,3-9H2,1-2H3.
What are the key properties of methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate?
methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate has a molecular weight of 267.33 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclopentyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetate is sourced from PubChem (CID 80710052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).